Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2651969 | 0.75 | ALDH1A1 (0.59) | RAB9AKDM4ENPC1ALDH1A1ALOX15 | |
| SCHEMBL27418382 | 0.70 | NPC1 (0.50) | RAB9AKDM4ENPC1ALDH1A1TSHR | |
| SCHEMBL27917424 | 0.70 | PDE10A (0.56) | TAAR1ADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL31241273 | 0.70 | RAB9A (0.53) | RAB9AKDM4ENPC1ALDH1A1ALOX15 | |
| SCHEMBL28516949 | 0.70 | PDE10A (0.53) | TAAR1ADRA2AADRA2BADRA2CHTR1A | |
| SCHEMBL29748356 | 0.69 | TAAR1 (0.59) | KDM4EALDH1A1ALOX15TSHRSMN1; SMN2 | |
| SCHEMBL1585966 | 0.68 | TAAR1 (0.58) | KDM4EALDH1A1ALOX15TSHRSMN1; SMN2 | |
| Quinoline SCHEMBL28213231 | 0.68 | TAAR1 (0.73) | ALDH1A1TSHRSMN1; SMN2TAAR1ADRA2A | |
| SCHEMBL1083240 | 0.67 | TAAR1 (0.61) | TSHRSMN1; SMN2TAAR1ADRA2AADRA2B | |
| SCHEMBL29956943 | 0.66 | RAB9A (0.47) | RAB9AKDM4ENPC1ALDH1A1ALOX15 |
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-1358165-A1 | IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002060877-A1 | IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-08 | — | — | WO | disclosed |