Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | SORD | Q00796 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL3367760 | 0.83 | RAB9A (0.61) | RAB9ARCE1MEN1KMT2ABACE1 | |
| SCHEMBL12277535 | 0.81 | RAB9A (0.41) | RAB9ARCE1MEN1KMT2AALDH1A1 | |
| SCHEMBL15712652 | 0.67 | CDK4 (0.60) | ALOX5MEN1KMT2AESR2ESR1 | |
| SCHEMBL9796461 | 0.66 | ALOX5 (0.44) | ALOX5MEN1KMT2AESR2BACE1 | |
| SCHEMBL3264399 | 0.65 | MEN1 (0.47) | MEN1KMT2APOLBCASP6ESR2 | |
| SCHEMBL69153 | 0.64 | ALOX5 (1.00) | ALOX5KMT2AESR2BACE1ESR1 | |
| SCHEMBL3802935 | 0.64 | ALOX5 (0.74) | ALOX5MEN1KMT2AESR2BACE1 | |
| SCHEMBL29629264 | 0.64 | ALOX5 (1.00) | ALOX5KMT2AESR2BACE1ESR1 | |
| SCHEMBL503746 | 0.64 | ALOX5 (0.74) | ALOX5MEN1KMT2AESR2BACE1 | |
| SCHEMBL1193736 | 0.64 | IDO1 (0.44) | RAB9ARCE1MEN1KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1819342-A4 | QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-12-17 | — | — | EP | disclosed |
| EP-1819342-A1 | QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006060390-A1 | QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-06-08 | — | — | WO | disclosed |