Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD1 | P21728 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.40 |
| ▸ | DRD5 | P21918 | 2/20 | 0.40 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8939785 | 0.86 | HTR1A (0.42) | HRH1TSHRL3MBTL1DRD2DRD1 | |
| SCHEMBL27660943 | 0.82 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19L3MBTL1CYP3A4 | |
| SCHEMBL8939743 | 0.81 | MAPT (0.49) | L3MBTL1DRD2LTA4HSMN1; SMN2 | |
| SCHEMBL8859963 | 0.79 | LTA4H (0.44) | CYP2C19TP53LTA4HHPGD | |
| SCHEMBL8939734 | 0.76 | HPGD (0.41) | CYP1A2TSHRL3MBTL1CYP3A4LMNA | |
| SCHEMBL5146718 | 0.76 | HRH1 (0.71) | CYP1A2CYP2C9HRH1TSHRL3MBTL1 | |
| SCHEMBL8939699 | 0.75 | ADRA1D (0.39) | TSHRLMNA | |
| SCHEMBL16961397 | 0.74 | MCHR1 (0.38) | CYP1A2CYP2C9CYP2C19L3MBTL1TP53 | |
| SCHEMBL677482 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19L3MBTL1CYP3A4 | |
| SCHEMBL10841925 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19TSHRL3MBTL1 |
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 |