Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9201655 | 0.79 | MAPK1 (0.63) | MAPK1CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL8007551 | 0.79 | MAPK1 (0.63) | MAPK1CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL2534650 | 0.73 | MAPK1 (1.00) | MAPK1CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL2504692 | 0.73 | MAPK1 (1.00) | MAPK1CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL7994941 | 0.73 | MAPK1 (1.00) | MAPK1CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL4383952 | 0.73 | MAPK1 (1.00) | MAPK1CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL7916942 | 0.73 | MAPK1 (1.00) | MAPK1CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL19419078 | 0.69 | ALDH1A1 (0.50) | ALDH1A1MAPTITGA4PDK2THRB | |
| SCHEMBL9560114 | 0.69 | MAPK1 (0.65) | MAPK1CYP3A4ALDH1A1LMNAKMT2A | |
| SCHEMBL8007579 | 0.69 | MAPK1 (0.70) | MAPK1CYP3A4ALDH1A1LMNAKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6166260-A | Tandem reduction and host-guest complexation | ZEELAND CHEMICALS, INC. (US) | 2000-12-26 | — | — | US | claimed |
| US-6166260-A | Tandem reduction and host-guest complexation | ZEELAND CHEMICALS, INC. (US) | 2000-12-26 | — | — | US | disclosed |