Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8579814 | 0.95 | CES2 (0.46) | CES2CES1AKR1B1TP53MEN1 | |
| SCHEMBL8673057 | 0.86 | MEN1 (0.50) | CES2CES1AKR1B1TP53MEN1 | |
| SCHEMBL8670638 | 0.85 | MEN1 (0.57) | CES2CES1TP53MEN1KMT2A | |
| SCHEMBL16990755 | 0.84 | MEN1 (0.57) | CES2CES1TP53MEN1KMT2A | |
| SCHEMBL8671811 | 0.83 | MEN1 (0.60) | CES2CES1TP53MEN1KMT2A | |
| SCHEMBL1358269 | 0.81 | CES2 (0.46) | CES2CES1AKR1B1TP53MEN1 | |
| SCHEMBL14780162 | 0.80 | MEN1 (0.57) | CES2CES1TP53MEN1KMT2A | |
| SCHEMBL595614 | 0.80 | CES1 (0.50) | CES2CES1AKR1B1TP53MEN1 | |
| SCHEMBL8145988 | 0.79 | CES2 (0.44) | CES2CES1AKR1B1TP53MEN1 | |
| SCHEMBL8041566 | 0.79 | ALDH1A1 (0.54) | TP53KMT2AL3MBTL1TDP1HDAC8 |
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-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 |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |
| EP-0021883-A2 | N-acyl-amino acid derivatives and pharmaceutical compositions containing them, intermediates and starting compounds | MERRELL TORAUDE ET COMPAGNIE (FR) | 1981-01-07 | — | — | EP | disclosed |