Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7447426 | 0.79 | PRKCA (0.36) | MEN1KMT2A | |
| SCHEMBL7451104 | 0.78 | UNG (0.36) | CA2NPC1RAB9ACYP2C9HPGD | |
| Ethyl Benzoate SCHEMBL27622572 | 0.70 | LMNA (0.67) | MEN1KMT2ACA12CA9CA1 | |
| Ethyl Benzoate SCHEMBL27281972 | 0.68 | LMNA (0.65) | MEN1KMT2ACA12CA9CA1 | |
| Ethyl Benzoate SCHEMBL30886688 | 0.68 | LMNA (0.68) | MEN1KMT2ACA12CA9CA1 | |
| Ethyl Benzoate SCHEMBL27940401 | 0.68 | LMNA (0.68) | MEN1KMT2ACA12CA9CA1 | |
| SCHEMBL1664013 | 0.67 | CA12 (0.75) | MEN1KMT2ACA12CA9CA1 | |
| SCHEMBL3510029 | 0.67 | RAB9A (0.57) | MEN1KMT2ACA12CA9CA1 | |
| SCHEMBL20546618 | 0.67 | MEN1 (0.51) | MEN1KMT2ANPC1RAB9ACYP1A2 | |
| SCHEMBL12813482 | 0.67 | KIF11 (0.50) | SMN1; SMN2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1192127-A1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | Agouron Pharmaceuticals, Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000078708-A1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMACEUTICALS, INC. (US) | 2000-12-28 | — | — | WO | disclosed |