Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL38651149 | 0.82 | ALDH1A1 (0.57) | ALDH1A1HPGDNAPRTHSD17B10POLB | |
| SCHEMBL9165239 | 0.82 | ALDH1A1 (0.57) | ALDH1A1HPGDNAPRTHSD17B10POLB | |
| SCHEMBL9133028 | 0.82 | ALDH1A1 (0.57) | ALDH1A1HPGDNAPRTHSD17B10POLB | |
| SCHEMBL6689158 | 0.79 | ALDH1A1 (0.74) | ALDH1A1HPGDNAPRTHSD17B10POLB | |
| SCHEMBL16588403 | 0.78 | TDP1 (0.50) | ALDH1A1HPGDHSD17B10POLBCYP2C19 | |
| SCHEMBL28834477 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HPGDNAPRTHSD17B10POLB | |
| SCHEMBL28287460 | 0.77 | MAPT (0.66) | ALDH1A1HPGDNAPRTHSD17B10POLB | |
| SCHEMBL27973104 | 0.77 | MAPT (0.66) | ALDH1A1HPGDNAPRTHSD17B10POLB | |
| SCHEMBL9808657 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDNAPRTHSD17B10POLB | |
| SCHEMBL14621405 | 0.75 | HPGD (0.49) | ALDH1A1HPGDPOLBCYP2C19SMN1; SMN2 |
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-3332785-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | Neupharma, Inc. (US) | 2018-06-13 | — | — | EP | disclosed |