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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11528175 | 0.92 | CYP2D6 (0.52) | CYP2D6SMN1; SMN2HTTLMNAMAPT | |
| SCHEMBL11461696 | 0.87 | SMN1; SMN2 (0.43) | SMN1; SMN2HTTLMNAMAPTALDH1A1 | |
| SCHEMBL11461697 | 0.86 | SMN1; SMN2 (0.42) | CYP2D6SMN1; SMN2HTTLMNAMAPT | |
| SCHEMBL11533367 | 0.86 | HSD17B10 (0.47) | SMN1; SMN2HTTLMNAMAPTALDH1A1 | |
| SCHEMBL11528038 | 0.82 | SMN1; SMN2 (0.62) | CYP2D6SMN1; SMN2HTTLMNAMAPT | |
| SCHEMBL11470790 | 0.78 | SMN1; SMN2 (0.41) | SMN1; SMN2HTTMAPTALDH1A1KDM4E | |
| SCHEMBL11531641 | 0.77 | SMN1; SMN2 (0.67) | CYP2D6SMN1; SMN2HTTLMNAMAPT | |
| SCHEMBL11537837 | 0.75 | CYP2D6 (0.53) | CYP2D6SMN1; SMN2HTTLMNAMAPT | |
| SCHEMBL1540629 | 0.70 | SMN1; SMN2 (0.50) | CYP2D6SMN1; SMN2ALDH1A1KDM4ERAB9A | |
| SCHEMBL11533592 | 0.70 | CYP2D6 (0.54) | CYP2D6SMN1; SMN2HTTLMNAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4155907-A | Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines | THE DOW CHEMICAL COMPANY (US) | 1979-05-22 | — | — | US | disclosed |
| 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 |