Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4011383 | 1.00 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6 | |
| SCHEMBL1858285 | 0.85 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6 | |
| SCHEMBL1858286 | 0.85 | ALDH1A1 (0.47) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6 | |
| SCHEMBL10018814 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6 | |
| SCHEMBL30928335 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6 | |
| SCHEMBL1249128 | 0.80 | TTR (0.50) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6 | |
| SCHEMBL1249131 | 0.80 | TTR (0.50) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6 | |
| SCHEMBL3690722 | 0.80 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6 | |
| SCHEMBL3453700 | 0.80 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6 | |
| SCHEMBL15464646 | 0.78 | KDM4E (0.50) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2B6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074089-B1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2013-09-18 | — | — | EP | disclosed |
| US-8222248-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-07-17 | — | — | US | disclosed |
| EP-2074089-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008048991-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2008-04-24 | — | — | WO | disclosed |