Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL431687 | 0.98 | ALDH1A1 (0.56) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL77922 | 0.92 | ALDH1A1 (0.62) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL12086376 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL38655942 | 0.85 | ALDH1A1 (0.65) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL28385453 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL3937020 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL3937015 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL2354939 | 0.85 | ALDH1A1 (0.59) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL7027259 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRHTTHPGDMAOB | |
| SCHEMBL3157228 | 0.85 | ALDH1A1 (0.55) | ALDH1A1TSHRHTTHPGDMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0884311-A2 | Triazole Derivatives and their production | Takeda Chemical Industries, Ltd. (JP) | 1998-12-16 | — | — | EP | disclosed |