Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.42 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5584302 | 0.89 | TAAR1 (0.52) | TAAR1NPC1RAB9ACHRM2ALDH1A1 | |
| SCHEMBL1044928 | 0.87 | TAAR1 (0.56) | TAAR1NPC1RAB9ACHRM2SLC6A2 | |
| SCHEMBL1804680 | 0.81 | TAAR1 (0.54) | TAAR1NPC1RAB9ACHRM2SLC6A2 | |
| SCHEMBL1924990 | 0.81 | RECQL (0.43) | TAAR1KDM4ESMN1; SMN2 | |
| SCHEMBL7037675 | 0.80 | TAAR1 (0.52) | TAAR1NPC1RAB9ACHRM2SLC6A2 | |
| SCHEMBL6062588 | 0.80 | TAAR1 (0.52) | TAAR1NPC1RAB9ACHRM2SLC6A2 | |
| SCHEMBL5725432 | 0.78 | POLB (0.60) | TAAR1CHRM2ALDH1A1KDM4ERCE1 | |
| SCHEMBL27577258 | 0.77 | MGLL (0.46) | TAAR1NPC1RAB9ACHRM2ALDH1A1 | |
| SCHEMBL28546770 | 0.76 | HDAC1 (0.50) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5663968 | 0.75 | ADRA1D (0.41) | KDM4ESLC6A2CYP1A2CYP3A4CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7314877-B2 | Benzofuran derivative | KOWA CO., LTD. (JP) | 2008-01-01 | — | — | US | disclosed |
| CN-1326852-C | Benzofuran derivatives | KOWA CO (JP) | 2007-07-18 | — | — | CN | disclosed |
| US-7211577-B2 | Water-soluble phenylpyridazine derivative and medicine containing the same | KOWA CO., LTD. (JP) | 2007-05-01 | — | — | US | disclosed |
| US-20060189621-A1 | Benzofuran derivative | KOWA CO., LTD. (JP) | 2006-08-24 | — | — | US | disclosed |
| US-20060142292-A1 | 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases | KOWA CO., LTD. (JP) | 2006-06-29 | — | — | US | disclosed |
| CN-1759103-A | Water-soluble phenylpyridazine derivative and medicine containing the same | KOWA CO (JP) | 2006-04-12 | — | — | CN | disclosed |
| CN-1756753-A | Benzofuran derivatives | KOWA CO (JP) | 2006-04-05 | — | — | CN | disclosed |
| EP-1604984-A1 | WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME | Kowa Co., Ltd. (JP) | 2005-12-14 | — | — | EP | disclosed |
| EP-1602655-A1 | BENZOFURAN DERIVATIVE | Kowa Co., Ltd. (JP) | 2005-12-07 | — | — | EP | disclosed |
| US-6861428-B2 | Water-soluble phenylpyridazine compounds and compositions containing the same | KOWA CO., LTD. (JP) | 2005-03-01 | — | — | US | disclosed |
| US-20040002497-A1 | Water-soluble phenylpyridazine compounds and compositions containing the same | KOWA CO., LTD. (JP) | 2004-01-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060142292-A1 | 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases | IL1B, IL1A, IL1R1 | SLC6A2 3632/4885SLC6A4 2943/4885SLC6A3 3174/4885 |
| US-20040002497-A1 | Water-soluble phenylpyridazine compounds and compositions containing the same | IL1A, IL1B, IL1R1 | SLC6A2 3516/4885SLC6A4 2834/4885SLC6A3 2211/4885 |
| US-20060189621-A1 | Benzofuran derivative | TNF, TNFRSF1A, RELA | SLC6A2 3024/4885SLC6A4 1734/4885SLC6A3 2309/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.