Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.62 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | ADK | P55263 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.46 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2097610 | 0.82 | DYRK1A (0.57) | SMPD3NISCHALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL771769 | 0.81 | CYP1A2 (0.65) | SMPD3NISCHALDH1A1CYP1A2CYP3A4 | |
| Bromide SCHEMBL28346147 | 0.79 | CYP1A2 (0.63) | SMPD3NISCHALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL24575653 | 0.79 | SMPD3 (0.47) | SMPD3NISCHALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28494454 | 0.79 | NISCH (0.62) | SMPD3NISCHALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL771235 | 0.78 | SMPD3 (0.73) | SMPD3NISCHALDH1A1KDM4EMTOR | |
| SCHEMBL6002867 | 0.77 | SMPD3 (0.45) | SMPD3NISCHALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8727409 | 0.77 | SMPD3 (1.00) | SMPD3NISCHALDH1A1KDM4E | |
| SCHEMBL29160554 | 0.75 | CYP1A2 (0.58) | SMPD3NISCHALDH1A1CYP1A2CYP3A4 | |
| Oxalic Acid SCHEMBL31679093 | 0.75 | PIN1 (0.52) | SMPD3NISCHALDH1A1KDM4EMTOR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106699771-A | Cryptotanshinone compound, as well as preparation method and application thereof | 常州大学 | 2017-05-24 | — | — | CN | disclosed |
| CN-103889964-A | Tumor targeting drug Combretastatin A4 derivative | NANJING SANHOME PHARMACEUTICAL CO LTD | 2014-06-25 | — | — | CN | disclosed |
| WO-2013004075-A1 | TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE | 南京圣和药业有限公司 (CN) | 2013-01-10 | — | — | WO | disclosed |
| EP-1463735-A1 | IMIDAZO[2,1-B]-1,3,4-THIADIAZOLE SULFONAMIDES | Aegera Therapeutics Inc. (CA) | 2004-10-06 | — | — | EP | disclosed |
| WO-2003051890-A1 | IMIDAZO [2,1-B]-1,3,4-THIADIAZOLE SUFLONAMIDES | AEGERA THERAPEUTICS INC. (CA) | 2003-06-26 | — | — | WO | disclosed |