Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6160386 | 0.77 | ABCB1 (0.44) | — | |
| SCHEMBL2350546 | 0.76 | L3MBTL1 (0.56) | AKR1B1L3MBTL1CETPSMPD1MAPT | |
| SCHEMBL8939718 | 0.76 | CETP (0.41) | CETPMAPTCYP1A2KMT2AMEN1 | |
| SCHEMBL29689730 | 0.74 | ABCB1 (0.61) | AKR1B1SMPD1 | |
| SCHEMBL7429582 | 0.71 | BCHE (0.40) | — | |
| SCHEMBL7746427 | 0.71 | HTR2A (0.42) | — | |
| SCHEMBL8939696 | 0.71 | HTR1A (0.52) | MAPTCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL8939742 | 0.71 | HTR1A (0.50) | MAPTCYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL7746382 | 0.70 | TDP1 (0.40) | L3MBTL1 | |
| SCHEMBL8939765 | 0.70 | TDP1 (0.40) | L3MBTL1 |
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-5516797-A | SUPPRESSING GRAFT REJECTION | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1996-05-14 | — | — | US | disclosed |
| US-5330993-A | Immunosuppressive compounds | VERTEX PHARMACEUTICALS, INC. (US) | 1994-07-19 | — | — | US | disclosed |