Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 3/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP14 | P50281 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL29064066 | 1.00 | MMP12 (0.37) | MMP12MMP13MMP2MMP9MMP14 | |
| SCHEMBL9735825 | 0.93 | MMP12 (0.35) | MMP12MMP13MMP2MMP9MMP14 | |
| SCHEMBL9736771 | 0.89 | ADRB2 (0.36) | ADRB2ADRB1ADRB3MAPTCYP3A4 | |
| SCHEMBL24312400 | 0.88 | CYP2D6 (0.38) | ADRB2ADRB1ADRB3MAPTCYP3A4 | |
| SCHEMBL7870035 | 0.87 | ADRB2 (0.38) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL13345438 | 0.87 | ADRB2 (0.38) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL10584182 | 0.87 | ADRB2 (0.35) | ADRB2ADRB1ADRB3MAPTCYP3A4 | |
| SCHEMBL7870032 | 0.87 | ADRB2 (0.38) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL7155286 | 0.86 | CYP2D6 (0.37) | ADRB2ADRB1ADRB3MAPTCYP3A4 | |
| SCHEMBL9523633 | 0.86 | GAA (0.36) | ADRB2ADRB1ADRB3CYP3A4HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-116437927-A | Tetrahydrobenzodiazepine ketone compound and pharmaceutical application thereof | 日本烟草产业株式会社 | 2023-07-14 | — | — | CN | disclosed |
| US-5093363-A | Antilipemic agents | SHIONOGI & CO., LTD. (JP) | 1992-03-03 | — | — | US | disclosed |
| EP-0414206-A2 | 2,4,6-Substituted phenol derivatives | SHIONOGI & CO., LTD. (JP) | 1991-02-27 | — | — | EP | disclosed |