Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.47 |
| ▸ | EBP | Q15125 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7968735 | 0.90 | SIGMAR1 (0.47) | SIGMAR1EBPKDM4ECYP3A4ABCB1 | |
| SCHEMBL7972427 | 0.89 | SIGMAR1 (0.39) | SIGMAR1EBPKDM4EKCNH2TSHR | |
| SCHEMBL7956537 | 0.88 | SIGMAR1 (0.50) | SIGMAR1EBPKDM4ECYP3A4ABCB1 | |
| SCHEMBL7968547 | 0.88 | SIGMAR1 (0.47) | SIGMAR1EBPKDM4ECYP3A4ABCB1 | |
| SCHEMBL7966694 | 0.88 | SIGMAR1 (0.47) | SIGMAR1EBPKDM4ECYP3A4ABCB1 | |
| SCHEMBL7972339 | 0.86 | SIGMAR1 (0.46) | SIGMAR1EBPKDM4ECYP3A4ABCB1 | |
| SCHEMBL7965671 | 0.85 | SIGMAR1 (0.55) | SIGMAR1EBPKDM4ECYP3A4ABCB1 | |
| SCHEMBL7965711 | 0.85 | SIGMAR1 (0.50) | SIGMAR1EBPKDM4ECYP3A4ABCB1 | |
| SCHEMBL7971289 | 0.83 | SIGMAR1 (0.47) | SIGMAR1EBPKDM4ECYP3A4ABCB1 | |
| SCHEMBL7955944 | 0.83 | EBP (0.36) | SIGMAR1EBPCYP3A4CYP2D6 |
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 |