Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.69 |
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | BRS3 | P32247 | 3/20 | 0.64 |
| ▸ | MMP2 | P08253 | 1/20 | 0.56 |
| ▸ | MMP9 | P14780 | 1/20 | 0.56 |
| ▸ | MMP8 | P22894 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.55 |
| ▸ | NMBR | P28336 | 4/20 | 0.55 |
| ▸ | APAF1 | O14727 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7670547 | 0.91 | MMP9 (0.66) | CYP3A4MEN1KMT2AKDM4EMAPT | |
| SCHEMBL6892616 | 0.88 | KMT2A (0.83) | CYP3A4MEN1KMT2AKDM4EMAPT | |
| SCHEMBL7677891 | 0.81 | MMP9 (0.67) | CYP3A4MEN1KMT2AKDM4EMAPT | |
| SCHEMBL7677381 | 0.81 | POLB (0.67) | CYP3A4MEN1KMT2AKDM4EMAPT | |
| SCHEMBL1273639 | 0.81 | BRS3 (0.79) | CYP3A4KMT2ABRS3MMP2MMP9 | |
| SCHEMBL7838780 | 0.80 | POLB (0.73) | CYP3A4MEN1KMT2AKDM4EMAPT | |
| SCHEMBL7675784 | 0.79 | MMP9 (0.59) | MEN1KMT2AKDM4EMAPTMMP2 | |
| SCHEMBL7678071 | 0.79 | KDM4E (0.67) | CYP3A4MEN1KMT2AKDM4EMAPT | |
| SCHEMBL13886843 | 0.78 | BRS3 (1.00) | BRS3MMP2MMP9MMP8NMBR | |
| SCHEMBL1272561 | 0.78 | BRS3 (1.00) | BRS3MMP2MMP9MMP8NMBR |
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 |