Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28146646 | 0.85 | RIPK1 (0.49) | CYP2C19NPC1RAB9ACA12CA9 | |
| SCHEMBL10743539 | 0.83 | CES1 (0.47) | CYP2C19HDAC4HDAC6HDAC3HDAC1 | |
| SCHEMBL16989810 | 0.82 | RIPK1 (0.46) | CYP2C19NPC1RAB9ACA12CA9 | |
| SCHEMBL16989819 | 0.80 | RIPK1 (0.48) | NPC1RAB9ACA12CA9RIPK1 | |
| SCHEMBL432494 | 0.79 | NPC1 (0.52) | NPC1RAB9ACA12CA9RIPK1 | |
| SCHEMBL28506254 | 0.78 | CTRB1 (0.47) | CYP2C19HDAC4HDAC6HDAC3HDAC1 | |
| SCHEMBL28760310 | 0.78 | CYP2C19 (0.42) | CYP2C19HDAC4HDAC6HDAC3HDAC1 | |
| SCHEMBL11554391 | 0.76 | NPC1 (0.49) | NPC1RAB9ACA12CA9RIPK1 | |
| SCHEMBL28686366 | 0.76 | SMN1; SMN2 (0.56) | NPC1RAB9ACA12CA9SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL27585620 | 0.75 | ALDH1A1 (0.65) | CYP2C19HDAC4HDAC6HDAC3HDAC1 |
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 |