Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.61 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.61 |
| ▸ | HTR3B | O95264 | 1/20 | 0.61 |
| ▸ | HTR3A | P46098 | 1/20 | 0.61 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.61 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.50 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL532079 | 0.89 | ALDH1A1 (0.59) | ALDH1A1USP2TSHRHSD17B10ADRB1 | |
| SCHEMBL6263784 | 0.87 | KAT6A (0.60) | ALDH1A1USP2TSHRHSD17B10ADRB1 | |
| Hydrochloric Acid SCHEMBL6413194 | 0.85 | KAT6A (0.59) | ALDH1A1USP2TSHRHSD17B10ADRB1 | |
| Methylpiperazine SCHEMBL27995915 | 0.84 | SIGMAR1 (0.51) | ALDH1A1USP2TSHRHSD17B10SIGMAR1 | |
| Phenylpiperazine SCHEMBL3424663 | 0.82 | ALDH1A1 (0.73) | ALDH1A1USP2TSHRHSD17B10ADRB1 | |
| Phenylpiperazine SCHEMBL11621472 | 0.82 | ADRB1 (0.83) | ALDH1A1USP2TSHRHSD17B10ADRB1 | |
| SCHEMBL532678 | 0.81 | MAPT (0.74) | ALDH1A1USP2TSHRHSD17B10SMN1; SMN2 | |
| Phenylpiperazine SCHEMBL27492626 | 0.80 | ADRB1 (0.87) | ALDH1A1USP2TSHRHSD17B10ADRB1 | |
| Phenylpiperazine SCHEMBL2973134 | 0.80 | ADRB1 (0.95) | ALDH1A1USP2TSHRHSD17B10ADRB1 | |
| Phenylpiperazine SCHEMBL29235064 | 0.80 | TSHR (0.69) | ALDH1A1USP2TSHRHSD17B10ADRB1 |
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-2042495-A1 | 4 (phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders | AstraZeneca AB (SE) | 2009-04-01 | — | — | EP | disclosed |