Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MIF | P14174 | 9/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6889221 | 0.72 | MIF (0.39) | MIFMAPK1KCNN4ALDH1A1ALOX15 | |
| SCHEMBL2241061 | 0.72 | MIF (0.39) | MIFMAPK1KCNN4ALDH1A1ALOX15 | |
| SCHEMBL8763183 | 0.72 | MIF (0.39) | MIFMAPK1KCNN4ALDH1A1ALOX15 | |
| SCHEMBL10593333 | 0.72 | MIF (0.42) | MIFMAPK1KCNN4ALDH1A1TRPA1 | |
| SCHEMBL4386996 | 0.72 | MIF (0.42) | MIFMAPK1KCNN4ALDH1A1TRPA1 | |
| (Isothiocyanatomethanetriyl)Tribenzene SCHEMBL957836 | 0.72 | MIF (0.42) | MIFMAPK1KCNN4ALDH1A1TRPA1 | |
| SCHEMBL7028227 | 0.68 | KCNN4 (0.51) | CES1KCNN4ALDH1A1ALOX15MEN1 | |
| SCHEMBL7655470 | 0.68 | KCNN4 (0.51) | CES1KCNN4ALDH1A1ALOX15MEN1 | |
| SCHEMBL5573140 | 0.68 | ALDH1A1 (0.44) | MIFKCNN4ALDH1A1MEN1KMT2A | |
| SCHEMBL1980336 | 0.68 | MIF (0.35) | MIFMAPK1KCNN4ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1330451-A2 | SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-07-30 | — | — | EP | disclosed |
| WO-2002055514-A2 | SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS | ORTHO MCNEIL PHARM INC (US) | 2002-07-18 | — | — | WO | disclosed |