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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11461696 | 0.89 | SMN1; SMN2 (0.43) | HSD17B10RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL11533692 | 0.86 | CYP2D6 (0.48) | HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11461697 | 0.81 | SMN1; SMN2 (0.42) | SMN1; SMN2ALDH1A1LMNAHTTMAPT | |
| SCHEMBL11529794 | 0.80 | ALDH1A1 (0.48) | HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11470790 | 0.79 | SMN1; SMN2 (0.41) | HSD17B10RAB9ASMN1; SMN2USP2ALDH1A1 | |
| SCHEMBL11528175 | 0.76 | CYP2D6 (0.52) | RAB9ANPC1SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL2950945 | 0.73 | FKBP1A (0.50) | HSD17B10RAB9ANPC1SMN1; SMN2USP2 | |
| SCHEMBL11532976 | 0.73 | MEN1 (0.50) | HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL1567139 | 0.72 | RAB9A (0.46) | HSD17B10RAB9ANPC1SMN1; SMN2USP2 | |
| SCHEMBL11534277 | 0.72 | ALDH1A1 (0.66) | HSD17B10RAB9ASMN1; SMN2USP2ALDH1A1 |
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-4141983-A | Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines | THE DOW CHEMICAL COMPANY (US) | 1979-02-27 | — | — | US | disclosed |
| US-4134996-A | METHOD FOR INHIBITING ADP-INDUCED PLATELET AGGREGATION USING PHENYLTHIOALKYLAMINES | THE DOW CHEMICAL COMPANY (US) | 1979-01-16 | — | — | US | disclosed |