Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.42 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Adipic Acid SCHEMBL1648545 | 0.92 | CYP2C19 (0.58) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP17A1 | |
| Glutarate SCHEMBL1648644 | 0.88 | CYP2C19 (0.54) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP17A1 | |
| Succinic Acid SCHEMBL1650227 | 0.84 | CYP17A1 (0.53) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP17A1 | |
| SCHEMBL1648991 | 0.80 | CYP17A1 (0.49) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP17A1 | |
| Terephthalamide SCHEMBL31306314 | 0.78 | TSHR (0.54) | CYP2C19ALDH1A1HDAC3HDAC4HDAC1 | |
| Carbamic Acid SCHEMBL29194228 | 0.76 | NAPRT (0.61) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP17A1 | |
| SCHEMBL8582840 | 0.76 | NAPRT (0.59) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP17A1 | |
| SCHEMBL44995 | 0.76 | — | — | |
| Chloroacetic Acid SCHEMBL1650215 | 0.75 | CYP17A1 (0.51) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP17A1 | |
| Oxalic Acid SCHEMBL1648442 | 0.74 | NAPRT (0.58) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP17A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070026078-A1 | Pharmaceutical co-crystal compositions | TRANSFORM PHARMACEUTICALS, INC. (US) | 2007-02-01 | — | — | US | claimed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-20100311701-A1 | Pharmaceutical Co-Crystal Compositions | TRANSFORM PHARMACEUTICALS, INC (US) | 2010-12-09 | — | — | US | disclosed |
| US-20070026078-A1 | Pharmaceutical co-crystal compositions | TRANSFORM PHARMACEUTICALS, INC. (US) | 2007-02-01 | — | — | US | disclosed |