Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Aniline SCHEMBL15063338 | 0.82 | TSHR (0.42) | TDP1TSHRTP53CYP3A4ALDH1A1 | |
| SCHEMBL825956 | 0.80 | — | — | |
| Aniline SCHEMBL10356182 | 0.79 | TSHR (0.39) | TDP1TSHRTP53CYP3A4ALDH1A1 | |
| Ethylamine SCHEMBL303374 | 0.78 | — | — | |
| SCHEMBL20658090 | 0.75 | HRH1 (0.42) | TDP1CYP3A4ALDH1A1 | |
| Aniline SCHEMBL2797779 | 0.74 | TSHR (0.50) | TDP1TSHRTP53CYP3A4ALDH1A1 | |
| Aniline SCHEMBL14802038 | 0.72 | TSHR (0.48) | TDP1TSHRTP53CYP3A4ALDH1A1 | |
| Aniline SCHEMBL27575192 | 0.72 | TSHR (0.48) | TDP1TSHRTP53CYP3A4ALDH1A1 | |
| SCHEMBL16714859 | 0.70 | SIGMAR1 (0.51) | — | |
| Aniline SCHEMBL17710399 | 0.69 | TSHR (0.55) | TDP1TSHRCYP3A4ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0676403-B1 | Arylaminosilane end-capped urethane sealants | WITCO CORP (US) | 1999-09-15 | — | — | EP | claimed |
| EP-0676403-A1 | Arylaminosilane end-capped urethane sealants | OSI SPECIALTIES, INC. (US) | 1995-10-11 | — | — | EP | claimed |
| EP-0676403-B1 | Arylaminosilane end-capped urethane sealants | WITCO CORP (US) | 1999-09-15 | — | — | EP | disclosed |
| EP-0676403-A1 | Arylaminosilane end-capped urethane sealants | OSI SPECIALTIES, INC. (US) | 1995-10-11 | — | — | EP | disclosed |