Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7371208 | 0.84 | RXRA (0.44) | RAB9ACYP2C8ALDH1A1LMNAHTT | |
| SCHEMBL24732303 | 0.79 | PGR (0.49) | PGRMAOBMAOAKDM4EMAPT | |
| SCHEMBL25742899 | 0.79 | PGR (0.49) | PGRMAOBMAOAKDM4EMAPT | |
| SCHEMBL7371062 | 0.78 | BACE1 (0.52) | PGRMAOBMAOAKDM4ECYP2A6 | |
| SCHEMBL7374419 | 0.77 | LMNA (0.40) | KDM4EMAPTKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL7376017 | 0.77 | NPSR1 (0.40) | KDM4ENPC1RAB9ACYP1A2CYP2A6 | |
| SCHEMBL24049723 | 0.76 | PGR (0.56) | PGRMAOBMAOAKDM4EMAPT | |
| SCHEMBL27517035 | 0.76 | GABRA1 (0.46) | KDM4EMAPTKMT2AMEN1CYP1A2 | |
| SCHEMBL28456459 | 0.75 | PGR (0.45) | PGRMAOBMAOAKDM4EMAPT | |
| SCHEMBL14027797 | 0.74 | PGR (0.54) | PGRMAOBMAOAKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994021650-A1 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-29 | — | — | WO | disclosed |