Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NMBR | P28336 | 2/20 | 0.67 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | APAF1 | O14727 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | ACE | P12821 | 2/20 | 0.54 |
| ▸ | MMP9 | P14780 | 4/20 | 0.54 |
| ▸ | MMP8 | P22894 | 4/20 | 0.54 |
| ▸ | MMP2 | P08253 | 2/20 | 0.54 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.53 |
| ▸ | MMP3 | P08254 | 1/20 | 0.53 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.53 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.53 |
| ▸ | ITGAL | P20701 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7675962 | 0.86 | MMP2 (0.63) | NMBRPOLBKDM4EAPAF1MAPT | |
| SCHEMBL7854107 | 0.84 | KDM4E (0.70) | POLBKDM4EAPAF1MAPTRECQL | |
| SCHEMBL7671985 | 0.82 | NMBR (0.65) | NMBRPOLBKDM4EAPAF1MAPT | |
| SCHEMBL7849904 | 0.82 | HPGD (0.67) | NMBRPOLBKDM4EMAPTRECQL | |
| SCHEMBL7849160 | 0.81 | POLB (0.59) | POLBKDM4EAPAF1MAPTRECQL | |
| SCHEMBL7674666 | 0.81 | BCHE (0.71) | NMBRPOLBKDM4EAPAF1MAPT | |
| SCHEMBL26168931 | 0.79 | POLB (0.62) | POLBKDM4EAPAF1MAPTRECQL | |
| SCHEMBL7678113 | 0.79 | NMBR (0.48) | NMBRPOLBKDM4EAPAF1MAPT | |
| SCHEMBL20713624 | 0.78 | POLB (0.72) | POLBKDM4EAPAF1MAPTRECQL | |
| SCHEMBL7677247 | 0.78 | MMP9 (0.74) | POLBKDM4EAPAF1MAPTRECQL |
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 |