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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | MMP3 | P08254 | 1/20 | 0.55 |
| ▸ | BMP1 | P13497 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11531177 | 0.95 | KMT2A (0.67) | MEN1KMT2AMMP3BMP1POLB | |
| SCHEMBL11530415 | 0.87 | NPSR1 (0.58) | MEN1KMT2AMMP3POLBNPSR1 | |
| SCHEMBL11526865 | 0.84 | KMT2A (0.63) | MEN1KMT2APOLBALDH1A1EPHX2 | |
| SCHEMBL11533679 | 0.83 | EPHX2 (0.52) | MEN1KMT2AMMP3POLBNPSR1 | |
| SCHEMBL11468670 | 0.82 | MEN1 (0.60) | MEN1KMT2AMMP3BMP1POLB | |
| SCHEMBL11534382 | 0.80 | MEN1 (0.65) | MEN1KMT2APOLBALDH1A1KDM4E | |
| SCHEMBL11531653 | 0.79 | MEN1 (0.72) | MEN1KMT2APOLBALDH1A1KDM4E | |
| SCHEMBL2920100 | 0.79 | MEN1 (0.72) | MEN1KMT2APOLBNPSR1ALDH1A1 | |
| SCHEMBL11528038 | 0.79 | SMN1; SMN2 (0.62) | MEN1KMT2AMMP3BMP1NPSR1 | |
| SCHEMBL11537837 | 0.79 | CYP2D6 (0.53) | MEN1KMT2AMMP3BMP1POLB |
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 |