Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | HTR5A | P47898 | 1/20 | 0.44 |
| ▸ | CDK4 | P11802 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8939696 | 0.98 | HTR1A (0.52) | HTR1AGAAMAPTHPGDSLC6A4 | |
| SCHEMBL7746427 | 0.75 | HTR2A (0.42) | HPGDHTR2A | |
| SCHEMBL7005718 | 0.74 | HTR2A (0.71) | HTR1AMAPTSLC6A4MEN1KMT2A | |
| SCHEMBL7429582 | 0.72 | BCHE (0.40) | HPGD | |
| SCHEMBL8939765 | 0.71 | TDP1 (0.40) | HPGD | |
| SCHEMBL8939783 | 0.71 | AKR1B1 (0.43) | MAPTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL7004146 | 0.71 | HTR2A (0.71) | HTR1AMAPTSLC6A4MEN1KMT2A | |
| SCHEMBL8243669 | 0.70 | SLC6A4 (0.62) | HTR1AMAPTSLC6A4MEN1KMT2A | |
| SCHEMBL7889427 | 0.69 | HTR2A (0.69) | HTR1AMAPTSLC6A4MEN1KMT2A | |
| SCHEMBL7001306 | 0.69 | HTR2A (0.69) | HTR1AMAPTSLC6A4MEN1KMT2A |
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 |