Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5935000 | 0.86 | TACR1 (0.39) | TACR1MAPTALDH1A1HPGD | |
| SCHEMBL8638213 | 0.85 | CYP1A2 (0.53) | TACR1MAPTHPGD | |
| SCHEMBL13629596 | 0.85 | TACR1 (0.46) | TACR1KDM4EMAPTALDH1A1HPGD | |
| SCHEMBL8178723 | 0.85 | TACR1 (0.39) | TACR1MAPTALDH1A1HPGD | |
| SCHEMBL8530555 | 0.84 | TACR1 (0.46) | TACR1KDM4EMAPTALDH1A1HPGD | |
| SCHEMBL8638217 | 0.83 | TACR1 (0.39) | TACR1 | |
| SCHEMBL13630147 | 0.82 | TACR1 (0.46) | TACR1KDM4EMAPTALDH1A1HPGD | |
| SCHEMBL8178721 | 0.82 | TACR1 (0.39) | TACR1 | |
| SCHEMBL4135034 | 0.82 | TACR1 (0.48) | TACR1 | |
| SCHEMBL8517947 | 0.82 | NOTUM (0.45) | TACR1MAPTALDH1A1HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6071928-A | Spiro-piperidine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME, LTD. (GB) | 2000-06-06 | — | — | US | disclosed |
| US-5929094-A | NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | disclosed |
| US-5877191-A | ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS | MERCK & CO., INC. (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1998017276-A1 | HETEROARYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |
| WO-1998017660-A1 | PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |