Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | APAF1 | O14727 | 1/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | GABRP | O00591 | 3/20 | 0.49 |
| ▸ | GABRD | O14764 | 3/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7678569 | 0.89 | POLB (0.62) | POLBCTDSP1KMT2AMEN1MAPT | |
| SCHEMBL7669404 | 0.84 | POLB (0.65) | POLBCTDSP1KMT2AMEN1MAPT | |
| SCHEMBL7838780 | 0.84 | POLB (0.73) | POLBCTDSP1KMT2AMEN1MAPT | |
| SCHEMBL7671925 | 0.84 | POLB (0.61) | POLBCTDSP1KMT2AMEN1MAPT | |
| SCHEMBL7673231 | 0.83 | POLB (0.64) | POLBCTDSP1KMT2AMEN1MAPT | |
| SCHEMBL7677992 | 0.83 | POLB (0.64) | POLBCTDSP1KMT2AMEN1MAPT | |
| SCHEMBL7677893 | 0.83 | POLB (0.64) | POLBCTDSP1KMT2AMEN1MAPT | |
| SCHEMBL7850770 | 0.82 | POLB (0.61) | POLBCTDSP1KMT2AMEN1MAPT | |
| SCHEMBL7678202 | 0.81 | POLB (0.66) | POLBCTDSP1KMT2AMEN1MAPT | |
| SCHEMBL7066324 | 0.81 | MMP9 (0.58) | KMT2AMEN1ITGB2ICAM1ITGAL |
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 |
|---|---|---|---|---|---|---|---|
| US-6472418-B1 | Non-peptide NK1 receptors antagonists | WARNER-LAMBERT COMPANY | 2002-10-29 | — | — | US | disclosed |
| EP-1140914-A1 | NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000037462-A1 | NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 2000-06-29 | — | — | WO | disclosed |