Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1254294 | 0.84 | ATM (0.48) | CES1TDP1MAPK1CYP3A4MAPT | |
| SCHEMBL5399187 | 0.80 | POLB (0.36) | CES1TDP1MAPK1CYP3A4MAPT | |
| SCHEMBL5390647 | 0.80 | CES2 (0.50) | CES1TDP1MAPTHPGDKMT2A | |
| SCHEMBL2808770 | 0.77 | TDP1 (0.42) | CES1TDP1MAPK1CYP3A4MAPT | |
| SCHEMBL5397507 | 0.77 | PTGS2 (0.55) | CES1CES2ALDH1A1 | |
| SCHEMBL3087344 | 0.75 | CES1 (0.43) | CES1TDP1MAPK1CYP3A4MAPT | |
| SCHEMBL15437888 | 0.75 | CES1 (0.43) | CES1TDP1MAPK1CYP3A4MAPT | |
| SCHEMBL7034583 | 0.75 | CES1 (0.43) | CES1TDP1MAPK1CYP3A4MAPT | |
| SCHEMBL10348963 | 0.75 | CES1 (0.43) | CES1TDP1MAPK1CYP3A4MAPT | |
| Benzoic Acid SCHEMBL6566208 | 0.73 | TSHR (0.82) | CES1TDP1MAPK1CYP3A4MAPT |
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-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |