Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.30 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5345569 | 0.86 | TACR1 (0.37) | MEN1KMT2ATACR1ALDH1A1HSP90AA1 | |
| SCHEMBL7916641 | 0.73 | CHRNB2 (0.45) | TACR1 | |
| SCHEMBL8178723 | 0.73 | TACR1 (0.39) | TACR1ALDH1A1HSP90AA1MAPTHPGD | |
| SCHEMBL4202175 | 0.72 | PRMT1 (0.49) | NPSR1MEN1KMT2ACYP1A2ALDH1A1 | |
| SCHEMBL4204199 | 0.72 | NPSR1 (0.47) | NPSR1KMT2ACYP1A2TACR1ALDH1A1 | |
| SCHEMBL7909807 | 0.71 | PTGS2 (0.39) | KMT2ACYP1A2ALDH1A1HPGD | |
| SCHEMBL5432312 | 0.71 | MEN1 (0.35) | MEN1KMT2ATACR1ALDH1A1 | |
| SCHEMBL8517947 | 0.70 | NOTUM (0.45) | TACR1ALDH1A1HSP90AA1MAPTHPGD | |
| SCHEMBL8176205 | 0.69 | TACR1 (0.48) | TACR1ALDH1A1MAPTHPGD | |
| SCHEMBL8326702 | 0.69 | TACR1 (0.38) | TACR1ALDH1A1HPGDHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1998017276-A1 | HETEROARYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |