Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.49 |
| ▸ | EBP | Q15125 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7968625 | 0.89 | SIGMAR1 (0.47) | SIGMAR1EBPKCNH2ADRA2BADRA2C | |
| SCHEMBL7968618 | 0.89 | SIGMAR1 (0.58) | SIGMAR1EBPKCNH2ADRA2BADRA2C | |
| SCHEMBL7967085 | 0.88 | SIGMAR1 (0.49) | SIGMAR1EBPKCNH2ADRA2BADRA2C | |
| SCHEMBL7965682 | 0.88 | SIGMAR1 (0.49) | SIGMAR1EBPKCNH2ADRA2BADRA2C | |
| SCHEMBL7965746 | 0.88 | SIGMAR1 (0.49) | SIGMAR1EBPKCNH2ADRA2BADRA2C | |
| SCHEMBL7972448 | 0.88 | SIGMAR1 (0.44) | SIGMAR1EBPKCNH2ADRA2BADRA2C | |
| SCHEMBL7969091 | 0.88 | SIGMAR1 (0.47) | SIGMAR1EBPKCNH2ADRA2BADRA2C | |
| SCHEMBL7972167 | 0.87 | SIGMAR1 (0.46) | SIGMAR1EBPKCNH2ADRA2BADRA2C | |
| SCHEMBL7956227 | 0.86 | SIGMAR1 (0.45) | SIGMAR1EBPKCNH2ADRA2BADRA2C | |
| SCHEMBL7956135 | 0.85 | EBP (0.44) | SIGMAR1EBPKCNH2ADRA2BADRA2C |
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 |