Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | MLYCD | O95822 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL27585620 | 0.87 | ALDH1A1 (0.65) | CYP2C19HDAC4HDAC6HDAC3HDAC1 | |
| SCHEMBL2462058 | 0.84 | TSHR (0.64) | NPC1RAB9ACA12CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10565954 | 0.82 | ALDH1A1 (0.61) | NPC1RAB9ACA12CA9ALDH1A1 | |
| SCHEMBL2316926 | 0.78 | RIPK1 (0.65) | CYP2C19HDAC4HDAC6HDAC3HDAC1 | |
| SCHEMBL4628462 | 0.78 | KMT2A (0.51) | CYP2C19HDAC4HDAC6HDAC3HDAC1 | |
| Ethylbenzene SCHEMBL8525583 | 0.76 | TP53 (0.61) | CYP2C19HDAC3HDAC1NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL14762650 | 0.75 | HPGD (0.60) | CYP2C19HDAC4HDAC6HDAC3HDAC1 | |
| Trifluoroacetic Acid SCHEMBL13733639 | 0.75 | ADRA2B (0.47) | CYP2C19HDAC4HDAC6HDAC3HDAC1 | |
| SCHEMBL22095153 | 0.74 | CYP2C19 (0.47) | CYP2C19HDAC4HDAC6HDAC3HDAC1 | |
| Trifluoroacetic Acid SCHEMBL20262609 | 0.74 | FFAR1 (0.59) | HDAC4HDAC6HDAC3HDAC1CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4738803-A | ENZYME INHIBITORS | ROQUES BERNARD (FR) | 1988-04-19 | — | — | US | disclosed |
| US-4618708-A | ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT | ROQUES BERNARD (FR) | 1986-10-21 | — | — | US | disclosed |