Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MDH1 | P40925 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6515014 | 0.83 | MAPK1 (0.40) | CYP2D6POLB | |
| SCHEMBL1327155 | 0.81 | CREBBP (0.38) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6518505 | 0.79 | C5AR1 (0.37) | ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL6522088 | 0.78 | NPSR1 (0.36) | ALDH1A1POLBTHRB | |
| SCHEMBL1327243 | 0.77 | PPARG (0.47) | ALDH1A1CYSLTR1KMT2ACREBBPPOLB | |
| SCHEMBL6523352 | 0.75 | C5AR1 (0.38) | — | |
| SCHEMBL1327217 | 0.73 | KMT2A (0.44) | KMT2APOLBNR1H4 | |
| SCHEMBL7322482 | 0.72 | SMPD1 (0.70) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL644216 | 0.72 | SMN1; SMN2 (0.58) | ALDH1A1CYSLTR1KMT2AMEN1POLB | |
| SCHEMBL31442462 | 0.72 | SMN1; SMN2 (0.58) | ALDH1A1CYSLTR1KMT2AMEN1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1565452-A2 | 3-SUBSTITUTED-6-ARYL PYRIDINES AS LIGANDS OF C5A RECEPTORS | NEUROGEN CORPORATION (US) | 2005-08-24 | — | — | EP | disclosed |
| WO-2004043925-A2 | 3-SUBSTITUTED-6-ARYL PYRIDINED AS LIGANDS OF C5A RECEPTORS | NEUROGEN CORPORATION (US) | 2004-05-27 | — | — | WO | disclosed |