Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4251786 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1CYP3A4HPGD | |
| SCHEMBL2620619 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1CYP3A4HPGD | |
| SCHEMBL29907927 | 1.00 | ALDH1A1 (0.38) | ALDH1A1TSHRTDP1CYP3A4HPGD | |
| SCHEMBL13948906 | 0.98 | ALDH1A1 (0.37) | ALDH1A1TSHRTDP1CYP3A4HPGD | |
| SCHEMBL13321061 | 0.94 | ALDH1A1 (0.34) | ALDH1A1TSHRTDP1CYP3A4HPGD | |
| SCHEMBL10066733 | 0.93 | CYP2C19 (0.37) | ALDH1A1TSHRTDP1CYP3A4HPGD | |
| SCHEMBL22746698 | 0.93 | CYP2C19 (0.37) | ALDH1A1TSHRTDP1CYP3A4HPGD | |
| SCHEMBL29444797 | 0.93 | CYP2C19 (0.37) | ALDH1A1TSHRTDP1CYP3A4HPGD | |
| SCHEMBL1753824 | 0.93 | CYP2C19 (0.37) | ALDH1A1TSHRTDP1CYP3A4HPGD | |
| SCHEMBL460778 | 0.93 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1CYP3A4HPGD |
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 |
|---|---|---|---|---|---|---|---|
| JP-4036264-A | — | — | None | — | — | JP | disclosed |
| WO-2013185871-A1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2013-12-19 | — | — | WO | disclosed |
| JP-H0436264-A | 1,8-DIAMINOPYRENE COMPOUND | RICOH CO LTD | 1992-02-06 | — | — | JP | disclosed |