Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9157720 | 0.94 | MCHR1 (0.42) | CYP2D6CYP3A4MCHR1CYP1A2ACACB | |
| SCHEMBL9157311 | 0.94 | CYP2D6 (0.47) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9157229 | 0.92 | CYP2D6 (0.44) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL9158464 | 0.92 | NQO1 (0.39) | MCHR1ACACBGAARAB9AHPGD | |
| SCHEMBL9158222 | 0.90 | ACACB (0.40) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL9154867 | 0.90 | ACACB (0.41) | ACACBLMNAHTTHSD17B10 | |
| SCHEMBL9766674 | 0.90 | MCHR1 (0.39) | MCHR1ACACBHPGDALDH1A1KDM4E | |
| SCHEMBL9158961 | 0.88 | NR5A1 (0.42) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL9159722 | 0.88 | NQO1 (0.42) | ACACB | |
| SCHEMBL9155712 | 0.79 | TSHR (0.43) | RAB9AALDH1A1SMN1; SMN2TP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0445248-A1 | PYRIDINE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1991-09-11 | — | — | EP | disclosed |