Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL24671246 | 0.86 | PDE10A (0.40) | ALDH1A1SMN1; SMN2HRH4CYP11B2 | |
| SCHEMBL29207709 | 0.86 | HRH4 (0.42) | ALDH1A1SMN1; SMN2HRH4CYP11B2GRM5 | |
| SCHEMBL30066309 | 0.86 | PDE10A (0.40) | ALDH1A1SMN1; SMN2HRH4CYP11B2 | |
| SCHEMBL25504062 | 0.85 | CNR2 (0.44) | ALDH1A1SMN1; SMN2HRH4CYP11B2GRM5 | |
| SCHEMBL25200347 | 0.80 | GPR119 (0.40) | HRH4GRM5ACHELMNAAOC3 | |
| SCHEMBL26077214 | 0.76 | KIT (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9ATAAR1 | |
| SCHEMBL15953346 | 0.76 | KIT (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9ATAAR1 | |
| SCHEMBL31374377 | 0.75 | GRM5 (0.41) | GRM5PDE5A | |
| SCHEMBL25190595 | 0.75 | GRM5 (0.41) | CYP11B2GRM5PDE5A | |
| SCHEMBL38662686 | 0.75 | GRM5 (0.41) | CYP11B2GRM5PDE5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-117693502-A | Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same | 纽力克斯治疗公司 | 2024-03-12 | — | — | CN | disclosed |