Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | EDNRA | P25101 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2183555 | 0.83 | KMT2A (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28603757 | 0.82 | GABRA1 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13768713 | 0.81 | SLC6A4 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2618697 | 0.80 | CYP2D6 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6703303 | 0.78 | EDNRA (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11621846 | 0.78 | TAAR1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL615460 | 0.78 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29115290 | 0.77 | NPSR1 (0.48) | CYP3A4CYP2D6KMT2AMEN1KDM4E | |
| SCHEMBL22854153 | 0.77 | MEN1 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Methane SCHEMBL3112493 | 0.77 | EDNRA (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120122746-A1 | Compositions | VEDANTAM VENKATESWARA KUMAR (US) | 2012-05-17 | — | — | US | disclosed |
| US-20120122746-A1 | Compositions | VEDANTAM VENKATESWARA KUMAR (US) | 2012-05-17 | — | — | US | disclosed |
| US-20110218132-A1 | COMPOSITIONS | GIVAUDAN SA (CH) | 2011-09-08 | — | — | US | disclosed |
| US-20110218132-A1 | COMPOSITIONS | GIVAUDAN SA (CH) | 2011-09-08 | — | — | US | disclosed |
| US-20090264328-A1 | COMPOSITIONS | GIVAUDAN SA (CH) | 2009-10-22 | — | — | US | disclosed |
| US-20090264328-A1 | COMPOSITIONS | GIVAUDAN SA (CH) | 2009-10-22 | — | — | US | disclosed |