Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4472986 | 0.82 | MAPT (0.52) | MEN1KMT2ACYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8320803 | 0.82 | MAPT (0.52) | MEN1KMT2ACYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1406054 | 0.82 | MAPT (0.52) | MEN1KMT2ACYP2C9CYP2C19CYP1A2 | |
| SCHEMBL14078394 | 0.73 | F10 (0.48) | — | |
| SCHEMBL3551523 | 0.69 | KMT2A (0.49) | MEN1KMT2ASMN1; SMN2RAB9ACYP2C9 | |
| SCHEMBL18707788 | 0.69 | SMN1; SMN2 (0.61) | MEN1KMT2ASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL254714 | 0.68 | PTPN11 (0.51) | PTPN11 | |
| SCHEMBL18714188 | 0.68 | MEN1 (0.54) | MEN1KMT2ASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL8319331 | 0.68 | CYP2C9 (0.50) | MEN1KMT2ASMN1; SMN2RAB9ACYP2C9 | |
| SCHEMBL13950465 | 0.67 | KMT2A (0.46) | MEN1KMT2ASMN1; SMN2RAB9ACYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7427618-B2 | Ethynyl derivatives as factor Xa inhibitors | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-23 | — | — | US | disclosed |