Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7704604 | 0.87 | IDO1 (0.57) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL3296809 | 0.87 | IDO1 (0.61) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27842350 | 0.85 | IDO1 (0.59) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL1451082 | 0.80 | TAAR1 (0.55) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL8035410 | 0.78 | CNR2 (0.55) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL22800045 | 0.78 | IDO1 (0.52) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL27547453 | 0.77 | IDO1 (0.47) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL24631774 | 0.76 | IDO1 (0.55) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL10987745 | 0.76 | HSPA5 (0.64) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL8611014 | 0.76 | IDO1 (0.50) | IDO1TAAR1CHRM2CHRM1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1751170-A1 | CHIRAL PHOSPHORUS COMPOUNDS | UNIVERSITY COLLEGE DUBLIN (IE) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005118603-A1 | CHIRAL PHOSPHORUS COMPOUNDS | UNIVERSITY COLLEGE DUBLIN (IE) | 2005-12-15 | — | — | WO | disclosed |