Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 8/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.70 |
| ▸ | HPGDS | O60760 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.51 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 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 SCHEMBL28162943 | 0.86 | HRH4 (0.49) | IDO1CYP3A4HPGDSLTA4HPOLB | |
| Trifluoroacetic Acid SCHEMBL2073584 | 0.84 | CYP11B1 (0.73) | IDO1CYP3A4HPGDSLTA4HPOLB | |
| SCHEMBL311306 | 0.84 | IDO1 (1.00) | IDO1CYP3A4HPGDSLTA4HPOLB | |
| Hydrochloric Acid SCHEMBL31723290 | 0.82 | IDO1 (0.95) | IDO1CYP3A4HPGDSLTA4HPOLB | |
| SCHEMBL27577902 | 0.80 | IDO1 (0.91) | IDO1CYP3A4HPGDSLTA4HPOLB | |
| SCHEMBL6638123 | 0.74 | CYP3A4 (0.60) | IDO1CYP3A4HPGDSLTA4HPOLB | |
| SCHEMBL940610 | 0.73 | IDO1 (0.59) | IDO1CYP3A4HPGDSSCN9ACYP2E1 | |
| Biphenyl SCHEMBL27461116 | 0.73 | CES1 (0.54) | SMN1; SMN2CYP2C9MAPT | |
| SCHEMBL20867689 | 0.73 | CYP3A4 (0.59) | IDO1CYP3A4LTA4HPOLBSMN1; SMN2 | |
| 4-Imidazolecarboxylic Acid SCHEMBL17143063 | 0.73 | HRH3 (0.53) | CYP3A4SMN1; SMN2HRH4HRH3MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7863294-B2 | Heterocycle derivatives as histone deacetylase (HDAC) inhibitors | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-01-04 | — | — | US | disclosed |