Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17983134 | 0.79 | CYP1A2 (0.49) | ALDH1A1TDP1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL17983026 | 0.79 | CYP1A2 (0.55) | ALDH1A1TDP1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL17983310 | 0.77 | CYP1A2 (0.52) | ALDH1A1TDP1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL3785657 | 0.75 | CA12 (0.43) | ALDH1A1TDP1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL31128443 | 0.74 | CYP1A2 (0.50) | ALDH1A1TDP1KDM4ECYP1A2CYP2C19 | |
| SCHEMBL6790333 | 0.72 | TDP1 (0.71) | TDP1CYP1A2CYP2C19SMN1; SMN2L3MBTL1 | |
| SCHEMBL4351612 | 0.72 | TDP1 (0.66) | TDP1CYP1A2CYP2C19SMN1; SMN2L3MBTL1 | |
| SCHEMBL877279 | 0.72 | KMT2A (0.73) | ALDH1A1TDP1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL29459522 | 0.72 | KMT2A (0.73) | ALDH1A1TDP1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL571018 | 0.71 | CYP1A2 (0.56) | ALDH1A1TDP1CYP1A2CYP2C19CYP2C9 |
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-0049506-A1 | N-carboxyalkyl dipeptides, a process for preparing and a pharmaceutical composition comprising the same | MERCK & CO. INC. (US) | 1982-04-14 | — | — | EP | disclosed |