Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | GHSR | Q92847 | 6/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | CPN1 | P15169 | 1/20 | 0.38 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 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 | |
|---|---|---|---|---|
| SCHEMBL7567800 | 0.79 | GPR88 (0.55) | GPR88KMT2ACHRNB2CHRNA4CHRNB4 | |
| Mandelic Acid SCHEMBL6950424 | 0.74 | KMT2A (0.49) | KMT2ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL3611085 | 0.71 | GHSR (0.48) | GPR88KMT2AGHSRCHRNB2CHRNA4 | |
| SCHEMBL9996441 | 0.71 | GHSR (0.48) | GPR88KMT2AGHSRCHRNB2CHRNA4 | |
| SCHEMBL14194158 | 0.71 | OPRM1 (0.48) | GPR88KMT2ACHRNB2CHRNA4CHRNB4 | |
| SCHEMBL10869689 | 0.70 | KMT2A (0.53) | GPR88KMT2ACHRNB2CHRNA4CHRNB4 | |
| Mandelic Acid SCHEMBL23121138 | 0.70 | KMT2A (0.44) | KMT2ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| Mandelic Acid SCHEMBL7297870 | 0.70 | KMT2A (0.50) | KMT2A | |
| Mandelic Acid SCHEMBL6974418 | 0.70 | KMT2A (0.44) | KMT2ACHRNB2CHRNA4CHRNB4CHRNA3 | |
| Mandelic Acid SCHEMBL8716945 | 0.70 | KMT2A (0.50) | KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5763604-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| US-5677448-A | CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS | HOFFMANN-LA ROCHE INC. (US) | 1997-10-14 | — | — | US | disclosed |
| US-5578594-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-11-26 | — | — | US | disclosed |
| US-5405854-A | Anticoagulants | HOFFMANN-LA ROCHE INC. (US) | 1995-04-11 | — | — | US | disclosed |