Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1581709 | 0.87 | CYP1B1 (0.59) | CYP1B1ACHECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23439163 | 0.82 | CYP1B1 (0.52) | CYP1B1ACHECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19398815 | 0.82 | CYP1B1 (0.52) | CYP1B1ACHECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7583645 | 0.82 | CYP1B1 (0.47) | CYP1B1ACHECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7583648 | 0.82 | CYP1B1 (0.47) | CYP1B1ACHECYP1A2CYP2C9CYP2C19 | |
| Cyanide SCHEMBL27937317 | 0.82 | CYP1B1 (0.55) | CYP1B1ACHECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17268190 | 0.79 | ACHE (0.55) | CYP1B1ACHECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15537156 | 0.79 | ACHE (0.55) | CYP1B1ACHECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL383479 | 0.79 | CYP1B1 (0.52) | CYP1B1ACHECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL21598051 | 0.79 | CYP1A2 (0.54) | CYP1B1ACHECYP1A2CYP2C9CYP2C19 |
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-1444235-B1 | REVERSE-TURN MIMETICS AND METHOD RELATING THERETO | CHOONGWAE PHARMA CORP (KR) | 2008-06-11 | — | — | EP | disclosed |