Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 8/20 | 0.52 |
| ▸ | EDNRB | P24530 | 5/20 | 0.52 |
| ▸ | CNR1 | P21554 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4591982 | 0.91 | ALDH1A1 (0.49) | CNR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL5424965 | 0.91 | EDNRA (0.50) | EDNRAEDNRB | |
| Hydrochloric Acid SCHEMBL4591984 | 0.90 | ALDH1A1 (0.48) | CNR1ALDH1A1TP53CYP1A2CYP3A4 | |
| SCHEMBL4592011 | 0.85 | EDNRB (0.52) | EDNRAEDNRBALDH1A1LMNA | |
| SCHEMBL4591054 | 0.85 | EDNRA (0.52) | EDNRAEDNRB | |
| SCHEMBL4591109 | 0.82 | ALDH1A1 (0.45) | EDNRAEDNRBALDH1A1TSHR | |
| SCHEMBL4592550 | 0.82 | KMT2A (0.50) | EDNRAEDNRBALDH1A1TDP1 | |
| SCHEMBL13990308 | 0.82 | CREBBP (0.47) | CNR1ALDH1A1TP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL4591112 | 0.82 | ESR1 (0.45) | ALDH1A1TSHRLMNA | |
| SCHEMBL4883674 | 0.82 | ALDH1A1 (0.42) | EDNRAEDNRBALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1750687-A2 | INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION | NIKEM RESEARCH S.R.L. (IT) | 2007-02-14 | — | — | EP | claimed |
| WO-2005105213-A2 | INDOLE AND AZAINDOLE DERIVATIVES WITH ANTITUMOR ACTION | NIKEM RESEARCH S.R.L. (IT) | 2005-11-10 | — | — | WO | claimed |