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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.72 |
| ▸ | F2 known ✓ | P00734 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.72 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL31071037 | 0.94 | ALDH1A1 (0.75) | ALDH1A1ADRA2BPTGS1TDP1TSHR | |
| Sulfuric Acid SCHEMBL5701214 | 0.94 | ALDH1A1 (0.75) | ALDH1A1ADRA2BPTGS1TDP1TSHR | |
| SCHEMBL7770068 | 0.86 | ALDH1A1 (0.75) | ALDH1A1ADRA2BPTGS1TDP1TSHR | |
| SCHEMBL3798956 | 0.85 | ALDH1A1 (0.62) | ALDH1A1ADRA2BPTGS1TDP1TSHR | |
| SCHEMBL14598 | 0.85 | — | — | |
| SCHEMBL29390378 | 0.85 | — | — | |
| Bicarbonate SCHEMBL10803247 | 0.83 | ALDH1A1 (0.78) | ALDH1A1ADRA2BPTGS1TDP1TSHR | |
| SCHEMBL11158604 | 0.83 | TSHR (0.58) | ALDH1A1ADRA2BPTGS1TDP1TSHR | |
| SCHEMBL6469327 | 0.83 | ALDH1A1 (0.95) | ALDH1A1ADRA2BPTGS1TDP1TSHR | |
| SCHEMBL7772203 | 0.83 | ALDH1A1 (0.95) | ALDH1A1ADRA2BPTGS1TDP1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050241527-A1 | Disazo dyes and ink jet inks containing them | AVECIA INKJET LIMITED (GB) | 2005-11-03 | — | — | US | disclosed |