Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALPG | P10696 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | TDO2 | P48775 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10952365 | 0.78 | ESR1 (0.47) | ESR1ESR2SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL7945757 | 0.78 | ESR1 (0.47) | ESR1ESR2LMNAALDH1A1TDP1 | |
| SCHEMBL2920989 | 0.78 | ESR1 (0.47) | ESR1ESR2LMNAALDH1A1TDP1 | |
| SCHEMBL10706998 | 0.78 | ESR1 (0.75) | ESR1ESR2LMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL7939324 | 0.78 | ESR1 (0.47) | ESR1ESR2LMNAALDH1A1TDP1 | |
| SCHEMBL10866096 | 0.78 | AOC3 (0.36) | LMNASMN1; SMN2ALDH1A1ALPGTDP1 | |
| SCHEMBL7969129 | 0.78 | PDE2A (0.43) | ESR1ESR2ALDH1A1 | |
| SCHEMBL9176198 | 0.78 | ESR1 (0.39) | ESR1ESR2SMN1; SMN2 | |
| SCHEMBL955278 | 0.77 | TRPA1 (0.48) | ESR1ESR2ALDH1A1HPGDUSP2 | |
| SCHEMBL8088810 | 0.77 | LMNA (0.46) | ESR1ESR2LMNASMN1; 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-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 |