Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 3/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | DRD5 | P21918 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8939745 | 0.85 | DRD2 (0.45) | DRD1DRD2HRH1DRD4DRD5 | |
| SCHEMBL8859966 | 0.83 | HTR1A (0.43) | DRD1DRD2DRD3HRH1DRD4 | |
| SCHEMBL7448619 | 0.79 | L3MBTL1 (0.47) | L3MBTL1CYP3A4TSHRHPGDSMN1; SMN2 | |
| SCHEMBL12129191 | 0.79 | DRD1 (0.63) | DRD1DRD2DRD3HRH1DRD4 | |
| SCHEMBL342502 | 0.77 | HTR1A (0.55) | DRD2L3MBTL1HPGDSMN1; SMN2LMNA | |
| SCHEMBL28061554 | 0.76 | SLC6A4 (0.38) | DRD1DRD2DRD3HRH1DRD4 | |
| SCHEMBL16951941 | 0.76 | GABRA1 (0.34) | L3MBTL1HPGDSMN1; SMN2HTR1APOLB | |
| SCHEMBL2094181 | 0.75 | CALM1 (0.46) | CYP3A4HPGDMAPTMEN1KMT2A | |
| SCHEMBL7453249 | 0.74 | CALM1 (0.41) | L3MBTL1CYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL6525290 | 0.73 | ADRB2 (0.41) | L3MBTL1TP53HPGDSMN1; SMN2ALDH1A1 |
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 |