Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EBP | Q15125 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7971875 | 0.90 | SIGMAR1 (0.43) | EBPSIGMAR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7968642 | 0.90 | EBP (0.46) | EBPSIGMAR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7969031 | 0.88 | EBP (0.43) | EBPSIGMAR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7966011 | 0.88 | EBP (0.43) | EBPSIGMAR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7968877 | 0.87 | EBP (0.41) | EBPSIGMAR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7968647 | 0.82 | EBP (0.43) | EBPSIGMAR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7965947 | 0.82 | SIGMAR1 (0.47) | EBPSIGMAR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7969365 | 0.82 | SIGMAR1 (0.53) | EBPSIGMAR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7956321 | 0.81 | EBP (0.55) | EBPSIGMAR1CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7965682 | 0.81 | SIGMAR1 (0.49) | EBPSIGMAR1CYP3A4CYP2D6CYP2C19 |
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 |