Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 9/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7966587 | 0.81 | EBP (0.44) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL7968383 | 0.80 | EBP (0.43) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL11819147 | 0.80 | SIGMAR1 (0.43) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL7968947 | 0.79 | EBP (0.42) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL6390941 | 0.78 | CYP3A4 (0.73) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL5236598 | 0.78 | EBP (0.59) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL7968378 | 0.77 | L3MBTL1 (0.40) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL7967953 | 0.77 | EBP (0.50) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL7972194 | 0.76 | SIGMAR1 (0.60) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 | |
| SCHEMBL7965567 | 0.76 | EBP (0.49) | CYP3A4ABCB1CYP3A5ABCC1KCNH2 |
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-6265439-B1 | Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives | G.D. SEARLE & CO. | 2001-07-24 | — | — | US | disclosed |
| US-5451604-A | Useful in organ transplant surgery | G. D. SEARLE & CO. (US) | 1995-09-19 | — | — | US | disclosed |