Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 1/20 | 0.53 |
| ▸ | TACR2 | P21452 | 13/20 | 0.51 |
| ▸ | APAF1 | O14727 | 1/20 | 0.48 |
| ▸ | UBE2N | P61088 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 3/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3856787 | 0.89 | TACR3 (0.49) | TACR3TACR2APAF1UBE2NTACR1 | |
| SCHEMBL8801936 | 0.88 | TACR2 (0.51) | TACR3TACR2TACR1CCR5 | |
| SCHEMBL8802349 | 0.86 | HTR1A (0.48) | TACR3TACR2TACR1SIGMAR1 | |
| SCHEMBL8802306 | 0.84 | TACR2 (0.66) | TACR3TACR2TACR1 | |
| SCHEMBL8804822 | 0.82 | TACR3 (0.52) | TACR3TACR2TACR1CCR5 | |
| SCHEMBL3638920 | 0.82 | TACR3 (0.57) | TACR3TACR2APAF1UBE2NTACR1 | |
| SCHEMBL9118639 | 0.82 | TACR3 (0.54) | TACR3TACR2TACR1CCR5SLC6A2 | |
| SCHEMBL8807882 | 0.80 | TACR3 (0.52) | TACR3TACR2TACR1CCR5 | |
| SCHEMBL3862800 | 0.80 | TACR3 (0.52) | TACR3TACR2APAF1UBE2NTACR1 | |
| SCHEMBL8808491 | 0.79 | TACR1 (0.54) | TACR3TACR2TACR1CCR5 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0758238-A4 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ-3 ANTAGONISTS | MERCK & CO INC (US) | 1997-09-03 | — | — | EP | claimed |
| EP-0758238-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ-3 ANTAGONISTS | MERCK & CO. INC. (US) | 1997-02-19 | — | — | EP | claimed |
| WO-1995028931-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ-3 ANTAGONISTS | MERCK & CO., INC. (US) | 1995-11-02 | — | — | WO | claimed |
| EP-0758238-A4 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ-3 ANTAGONISTS | MERCK & CO INC (US) | 1997-09-03 | — | — | EP | disclosed |
| EP-0758238-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ-3 ANTAGONISTS | MERCK & CO. INC. (US) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995028931-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ-3 ANTAGONISTS | MERCK & CO., INC. (US) | 1995-11-02 | — | — | WO | disclosed |
| US-5434158-A | Asthma | MERCK & CO., INC. (US) | 1995-07-18 | — | — | US | disclosed |