Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7222153 | 1.00 | HDAC4 (0.43) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL28691333 | 0.87 | HDAC4 (0.45) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL23059516 | 0.86 | HDAC4 (0.44) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL6752515 | 0.83 | LMNA (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27913950 | 0.82 | TGM2 (0.39) | ALDH1A1CYP3A4IDO1TDO2 | |
| SCHEMBL8148870 | 0.81 | CES2 (0.46) | CES2ALDH1A1CYP3A4IDO1TDO2 | |
| SCHEMBL61038 | 0.80 | CYP3A4 (0.50) | KDM4EALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL28772383 | 0.80 | HDAC4 (0.46) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL28446132 | 0.79 | IDO1 (0.43) | HDAC4HDAC7HDAC5CES2CES1 | |
| SCHEMBL19881211 | 0.78 | HDAC4 (0.47) | HDAC4HDAC7HDAC5CES2CES1 |
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-6593346-B2 | Substituted 3-(piperidin-1-ylmethyl)cyclopentylamines, useful as modulators of the chemokine receptors CCR-5 and/or CC R-3. | MERCK & CO. INC. | 2003-07-15 | — | — | US | disclosed |
| US-6358979-B1 | FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS, INFECTION BY HIV, TREATING INFECTION BY HIV, DELAYING OF THE ONSET OF AIDS | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |