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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MMP3 | P08254 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MMP2 | P08253 | 2/20 | 0.48 |
| ▸ | MMP13 | P45452 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | BMP1 | P13497 | 1/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11533592 | 0.95 | CYP2D6 (0.54) | CYP2D6SMN1; SMN2MMP3ALDH1A1KDM4E | |
| SCHEMBL11532976 | 0.84 | MEN1 (0.50) | SMN1; SMN2ALDH1A1HSD17B10KMT2AMEN1 | |
| SCHEMBL11528038 | 0.80 | SMN1; SMN2 (0.62) | CYP2D6SMN1; SMN2MMP3ALDH1A1KDM4E | |
| SCHEMBL11534293 | 0.79 | MEN1 (0.60) | MMP3ALDH1A1KDM4EUSP2HSD17B10 | |
| SCHEMBL11532901 | 0.77 | MEN1 (0.56) | SMN1; SMN2ALDH1A1KDM4EHSD17B10KMT2A | |
| SCHEMBL11533692 | 0.75 | CYP2D6 (0.48) | CYP2D6SMN1; SMN2MMP3ALDH1A1KDM4E | |
| SCHEMBL11531641 | 0.74 | SMN1; SMN2 (0.67) | CYP2D6SMN1; SMN2ALDH1A1KDM4EUSP2 | |
| SCHEMBL11531177 | 0.72 | KMT2A (0.67) | SMN1; SMN2MMP3ALDH1A1KDM4EUSP2 | |
| SCHEMBL11530415 | 0.70 | NPSR1 (0.58) | MMP3ALDH1A1KDM4EUSP2HSD17B10 | |
| SCHEMBL7350232 | 0.70 | MMP3 (0.61) | MMP3KDM4EKMT2AMMP2MMP13 |
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 |