Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.60 |
| ▸ | MMP3 | P08254 | 1/20 | 0.60 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.53 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.53 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL153763 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL1358618 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL28890607 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| SCHEMBL30108088 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL4002609 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| SCHEMBL30629023 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL29008551 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL164 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| SCHEMBL29560186 | 1.00 | ALDH1A1 (1.00) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 | |
| Biphenyl SCHEMBL10791683 | 0.95 | ALDH1A1 (0.90) | ALDH1A1MAPK1TAAR1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2552920-A1 | NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS | Euroscreen S.A. (BE) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011121137-A1 | NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS | EUROSCREEN S.A. (BE) | 2011-10-06 | — | — | WO | disclosed |
| US-5151491-A | Nitrogen compound, a boric acid compound and a dihydroxy compound terminated with a monoalcohol | GE PLASTICS JAPAN, LTD. (JP) | 1992-09-29 | — | — | US | disclosed |