Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.58 |
| ▸ | APAF1 | O14727 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 2/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 4/20 | 0.51 |
| ▸ | MMP9 | P14780 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7678243 | 0.99 | KDM4E (0.59) | KDM4EMAPTMAPK1ALDH1A1TSHR | |
| SCHEMBL7669483 | 0.92 | KDM4E (0.58) | KDM4EMAPTMAPK1ALDH1A1TSHR | |
| SCHEMBL7672641 | 0.91 | MMP2 (0.61) | KDM4EMAPTMAPK1ALDH1A1TSHR | |
| SCHEMBL15962425 | 0.87 | SOS1 (0.59) | KDM4EMAPTTSHRMEN1KMT2A | |
| SCHEMBL18305783 | 0.86 | SOS1 (0.58) | KDM4EMAPTMAPK1TSHRMEN1 | |
| SCHEMBL7672490 | 0.85 | KDM4E (0.64) | KDM4EMAPTMAPK1ALDH1A1TSHR | |
| SCHEMBL7848686 | 0.85 | MMP2 (0.69) | KDM4EMAPTMAPK1ALDH1A1TSHR | |
| SCHEMBL7851303 | 0.85 | RAB9A (0.56) | KDM4EMAPTMAPK1ALDH1A1TSHR | |
| SCHEMBL7839517 | 0.83 | KDM4E (0.56) | KDM4EMAPTMAPK1ALDH1A1TSHR | |
| SCHEMBL7848746 | 0.82 | KDM4E (0.52) | KDM4EMAPTMAPK1ALDH1A1TSHR |
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 |