Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 8/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | UBE2M | P61081 | 1/20 | 0.40 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTR1E | P28566 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7601092 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3693252 | 0.95 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3699525 | 0.95 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1178677 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1178167 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Bicarbonate SCHEMBL3693253 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7602752 | 0.86 | PTGES (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL13660732 | 0.86 | PTGES (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3704668 | 0.86 | PTGES (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL1178169 | 0.86 | CYP1A2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |