Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.33 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.33 |
| ▸ | GUCY1B1 | Q02153 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20578752 | 0.71 | AR (0.52) | ARALDH1A1KDM4EDAOMEN1 | |
| SCHEMBL5776720 | 0.70 | AR (0.48) | ARALDH1A1KDM4EDAOMEN1 | |
| SCHEMBL18965577 | 0.68 | ADRA1D (0.45) | AKR1B1 | |
| SCHEMBL16401681 | 0.67 | AR (0.41) | ARALDH1A1KDM4EDAOHCAR3 | |
| SCHEMBL16781994 | 0.66 | ALDH1A1 (0.47) | ARALDH1A1DAOMEN1KMT2A | |
| SCHEMBL28804739 | 0.66 | ALDH1A1 (0.41) | ARALDH1A1KDM4EDAOHTT | |
| SCHEMBL3301625 | 0.65 | TAAR1 (0.59) | ARALDH1A1KDM4EDAOTAAR1 | |
| SCHEMBL12955359 | 0.65 | AR (1.00) | ARHTT | |
| SCHEMBL3581160 | 0.64 | AR (0.68) | ARALDH1A1KDM4E | |
| SCHEMBL12468870 | 0.62 | IDO1 (0.40) | ARALDH1A1KDM4EDAOMEN1 |
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-2638029-A1 | TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012062687-A1 | TRIAZOLE DERIVATIVES AND THEIR USE FOR NEUROLOGICAL DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-05-18 | — | — | WO | disclosed |