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 | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7614886 | 1.00 | RAB9A (0.41) | RAB9ANPC1GAAPPARGNCOA2 | |
| Hydrochloric Acid SCHEMBL8472257 | 0.94 | KDM4E (0.42) | RAB9ANPC1GAAPPARGNCOA2 | |
| SCHEMBL8474349 | 0.93 | KMT2A (0.37) | RAB9ANPC1GAAPPARGNCOA2 | |
| SCHEMBL7614890 | 0.93 | KMT2A (0.37) | RAB9ANPC1GAAPPARGNCOA2 | |
| SCHEMBL8473304 | 0.90 | KDM4E (0.46) | RAB9ANPC1GAAPPARGNCOA2 | |
| SCHEMBL8475760 | 0.90 | KDM4E (0.46) | RAB9ANPC1GAAPPARGNCOA2 | |
| Hydrochloric Acid SCHEMBL8474427 | 0.89 | KDM4E (0.46) | RAB9ANPC1GAAPPARGNCOA2 | |
| Hydrochloric Acid SCHEMBL8472265 | 0.89 | KDM4E (0.44) | RAB9ANPC1GAAPPARGNCOA2 | |
| Hydrochloric Acid SCHEMBL8472403 | 0.87 | KDM4E (0.42) | RAB9ANPC1GAAPPARGNCOA2 | |
| SCHEMBL7615052 | 0.86 | KDM4E (0.39) | KDM4EALDH1A1TSHRPOLBMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5891902-A | OSTEOPOROSIS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1999-04-06 | — | — | US | disclosed |
| EP-0741132-A1 | INDOLE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-11-06 | — | — | EP | disclosed |