Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5216002 | 1.00 | SLC6A3 (0.46) | SLC6A3SLC6A4CA1CA2CA4 | |
| SCHEMBL5215996 | 1.00 | SLC6A3 (0.46) | SLC6A3SLC6A4CA1CA2CA4 | |
| SCHEMBL5221669 | 0.85 | SLC6A2 (0.49) | SLC6A3SLC6A4SLC6A2MAPK1SMN1; SMN2 | |
| SCHEMBL5221675 | 0.85 | SLC6A2 (0.49) | SLC6A3SLC6A4SLC6A2MAPK1SMN1; SMN2 | |
| SCHEMBL22831008 | 0.77 | SLC6A2 (0.50) | SLC6A3SLC6A4SLC6A2MAPK1SMN1; SMN2 | |
| SCHEMBL22831009 | 0.77 | SLC6A2 (0.50) | SLC6A3SLC6A4SLC6A2MAPK1SMN1; SMN2 | |
| SCHEMBL22831007 | 0.77 | SLC6A2 (0.50) | SLC6A3SLC6A4SLC6A2MAPK1SMN1; SMN2 | |
| SCHEMBL4983554 | 0.76 | LMNA (0.39) | SLC6A3RECQLLMNA | |
| SCHEMBL3477143 | 0.76 | LMNA (0.39) | SLC6A3RECQLLMNA | |
| SCHEMBL31335433 | 0.75 | SLC6A3 (0.36) | SLC6A3SLC6A4SLC6A2 |
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-1322596-B1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2007-08-15 | — | — | EP | disclosed |
| EP-1226146-A2 | QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS | ABBOTT LABORATORIES (US) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001032655-A2 | QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS | ABBOTT LABORATORIES (US) | 2001-05-10 | — | — | WO | 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 |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1998017276-A1 | HETEROARYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |