Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | PNMT | P11086 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27717593 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPTPNMTTAAR1SIGMAR1 | |
| SCHEMBL20856578 | 0.76 | ALDH1A1 (0.42) | ALDH1A1MAPTPNMTTAAR1IDO1 | |
| Hydrochloric Acid SCHEMBL20856732 | 0.74 | ALDH1A1 (0.41) | ALDH1A1MAPTPNMTTAAR1IDO1 | |
| SCHEMBL9663794 | 0.73 | IDO1 (0.58) | PNMTTAAR1IDO1SIGMAR1POLB | |
| SCHEMBL5968080 | 0.72 | HTR2A (0.47) | ALDH1A1SIGMAR1CYP3A4KDM4E | |
| SCHEMBL8044551 | 0.72 | HTR2A (0.47) | ALDH1A1SIGMAR1CYP3A4KDM4E | |
| SCHEMBL27717640 | 0.72 | TAAR1 (0.53) | ALDH1A1MAPTPNMTTAAR1 | |
| SCHEMBL29710420 | 0.72 | IDO1 (0.57) | ALDH1A1MAPTIDO1CA1CA2 | |
| SCHEMBL1132624 | 0.72 | IDO1 (0.57) | ALDH1A1MAPTIDO1CA1CA2 | |
| Hydrochloric Acid SCHEMBL967050 | 0.70 | IDO1 (0.55) | ALDH1A1MAPTIDO1CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007002559-A1 | PYRAZOLE BASED LXR MODULATORS | EXELIXIS, INC. (US) | 2007-01-04 | — | — | WO | disclosed |