Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.66 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.50 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28155671 | 0.84 | TAAR1 (0.82) | TAAR1CA1CA2CA12CA9 | |
| SCHEMBL17725790 | 0.76 | MIF (0.51) | TAAR1SMN1; SMN2MIFOPRK1IDO1 | |
| SCHEMBL28155667 | 0.75 | CTBP2 (0.47) | TAAR1SMN1; SMN2MIFALDH1A1GAA | |
| SCHEMBL28155672 | 0.75 | TAAR1 (0.54) | TAAR1CA1CA2CA12CA9 | |
| SCHEMBL9558722 | 0.74 | CA1 (0.64) | TAAR1CA1CA2CA12CA9 | |
| SCHEMBL14676823 | 0.74 | TAAR1 (0.57) | TAAR1CA1CA2CA12CA9 | |
| SCHEMBL14676824 | 0.74 | TAAR1 (0.57) | TAAR1CA1CA2CA12CA9 | |
| SCHEMBL2464453 | 0.74 | TAAR1 (0.76) | TAAR1CA1CA2CA12CA9 | |
| SCHEMBL8418689 | 0.74 | TAAR1 (0.76) | TAAR1CA1CA2CA12CA9 | |
| SCHEMBL7396578 | 0.73 | TAAR1 (0.87) | TAAR1CA1CA2CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105294458-B | A kind of anti-tumor small molecular compound and its preparation method and application | 中国人民解放军第四军医大学 | 2017-07-11 | — | — | CN | claimed |
| CN-105294458-B | A kind of anti-tumor small molecular compound and its preparation method and application | 中国人民解放军第四军医大学 | 2017-07-11 | — | — | CN | disclosed |
| CN-105294458-A | Antineoplastic small molecular compound and preparation method and application thereof | FOURTH MILITARY MEDICAL UNIV | 2016-02-03 | — | — | CN | disclosed |