Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | RBBP9 | O75884 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CASP3 | P42574 | 3/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 3/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | HSPA9 | P38646 | 1/20 | 0.36 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19974187 | 0.84 | ALDH1A1 (0.48) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| Bicarbonate SCHEMBL10505047 | 0.78 | ALDH1A1 (0.55) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3652897 | 0.77 | NPC1 (0.48) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL14152809 | 0.77 | ALDH1A1 (0.64) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28029545 | 0.76 | ALDH1A1 (0.57) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5609781 | 0.76 | ALDH1A1 (0.57) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL158422 | 0.76 | — | — | |
| SCHEMBL4391375 | 0.74 | ALDH1A1 (0.60) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11768600 | 0.74 | ALDH1A1 (0.50) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL5013504 | 0.74 | ALDH1A1 (0.59) | ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016100515-A1 | CYCLIC COMPOUNDS AND USES THEREOF | Karyopharm Therapeutics Inc. (US) | 2016-06-23 | — | — | WO | disclosed |