Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19974645 | 0.78 | MEN1 (0.38) | HRH3ALDH1A1CYP3A4GABRA1TSHR | |
| SCHEMBL19974655 | 0.77 | ELANE (0.41) | HRH3ALDH1A1CYP3A4GABRA1TSHR | |
| SCHEMBL19975547 | 0.77 | HRH3 (0.43) | HRH3CYP2D6HRH4CYP3A4KDM4E | |
| SCHEMBL7158594 | 0.74 | — | — | |
| SCHEMBL27673261 | 0.73 | HRH4 (0.36) | HRH3HRH4ALDH1A1CYP3A4GABRA1 | |
| SCHEMBL3961101 | 0.72 | — | — | |
| SCHEMBL1331771 | 0.72 | MEN1 (0.38) | HRH3ALDH1A1CYP3A4GABRA1TSHR | |
| SCHEMBL7449177 | 0.71 | ALDH1A1 (0.40) | HRH3HRH4ALDH1A1CYP3A4GABRA1 | |
| SCHEMBL19974705 | 0.71 | CYP19A1 (0.50) | HRH3ALDH1A1CYP3A4GABRA1TSHR | |
| SCHEMBL26581877 | 0.70 | HRH3 (0.49) | HRH3CYP2D6HRH4ALDH1A1CYP3A4 |
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-3512840-A1 | NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS | Tseng, Yufeng, Jane (US) | 2019-07-24 | — | — | EP | disclosed |
| WO-2018053161-A1 | NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS | NATIONAL TAIWAN UNIVERSITY (TW) | 2018-03-22 | — | — | WO | disclosed |