Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | CCR8 | P51685 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.39 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30200047 | 0.83 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL15202095 | 0.83 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL527848 | 0.80 | ALDH1A1 (0.40) | ALDH1A1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL12533655 | 0.76 | OPRM1 (0.49) | ALDH1A1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL29448519 | 0.76 | — | — | |
| SCHEMBL3392695 | 0.76 | OPRM1 (0.49) | ALDH1A1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL12533662 | 0.76 | OPRM1 (0.49) | ALDH1A1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL659325 | 0.76 | KDM4E (0.48) | ALDH1A1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL900225 | 0.76 | — | — | |
| SCHEMBL12533665 | 0.76 | OPRM1 (0.49) | ALDH1A1NPC1RAB9AMAPTKMT2A |
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 |