Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR5 | P32302 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7681591 | 0.85 | CXCR5 (0.48) | CXCR5KDM4EPOLBHPGDMAPT | |
| SCHEMBL7677714 | 0.84 | CXCR5 (0.42) | CXCR5KDM4EPOLBMAPTRAB9A | |
| SCHEMBL27353130 | 0.83 | PPARG (0.40) | KDM4EPOLBHPGDMAPTRAB9A | |
| SCHEMBL30995649 | 0.82 | CA12 (0.46) | CXCR5KDM4EGAAPOLBHPGD | |
| SCHEMBL7677467 | 0.82 | CA12 (0.46) | CXCR5KDM4EGAAPOLBHPGD | |
| SCHEMBL7676369 | 0.82 | CXCR5 (0.37) | CXCR5KDM4EPOLBHPGDMAPT | |
| SCHEMBL19124992 | 0.81 | ACHE (0.39) | KDM4EGAAHPGDMAPTRAB9A | |
| SCHEMBL4260569 | 0.81 | CXCR5 (0.39) | CXCR5KDM4EHPGDRAB9ANPC1 | |
| SCHEMBL4258057 | 0.81 | ACHE (0.44) | KDM4EGAAPOLBHPGDMAPT | |
| SCHEMBL30995655 | 0.81 | ACHE (0.39) | KDM4EGAAHPGDMAPTRAB9A |
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-6403601-B1 | TREATMENT OF ASTHMA, ANXIETY, DEPRESSION, EMESIS, URINARY INCONTINENCE AND RELATED CONDITIONS. | ASTRAZENECA AB (SE) | 2002-06-11 | — | — | US | disclosed |
| EP-1137637-A1 | N-(2-PHENYL-4-PIPERIDINYLBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000034243-A1 | N-(2-PHENYL-4-PIPERIDINYBUTYL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDES AND THEIR USE AS NEUROKININ 1 (NK1) AND/OR NEUROKININ 2 (NK2) RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2000-06-15 | — | — | WO | disclosed |