Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8591036 | 0.92 | TSHR (0.53) | TSHRUSP2CA2CA1TDP1 | |
| SCHEMBL6761796 | 0.92 | TSHR (0.53) | TSHRUSP2CA2CA1TDP1 | |
| SCHEMBL27259142 | 0.92 | TSHR (0.50) | TSHRUSP2CA2CA1TDP1 | |
| SCHEMBL27308161 | 0.92 | TSHR (0.50) | TSHRUSP2CA2CA1TDP1 | |
| SCHEMBL5991 | 0.92 | — | — | |
| SCHEMBL27346657 | 0.92 | TSHR (0.50) | TSHRUSP2CA2CA1TDP1 | |
| Dimethylamine SCHEMBL128284 | 0.89 | — | — | |
| Dimethylamine SCHEMBL589015 | 0.89 | CA2 (0.41) | TSHRUSP2CA2CA1TDP1 | |
| SCHEMBL16680972 | 0.88 | — | — | |
| Water SCHEMBL3365863 | 0.88 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1139990-B1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KGAA (DE) | 2004-05-06 | — | — | EP | claimed |
| EP-1139990-A1 | AGENT FOR DYING KERATIN FIBERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2001-10-10 | — | — | EP | claimed |
| WO-2000038635-A1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-07-06 | — | — | WO | claimed |
| CN-101365446-B | Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery via implantable medical devices | RESVERLOGIX CORP | 2013-05-22 | — | — | CN | disclosed |
| WO-2010130708-A1 | BETA-LACTAMASE INHIBITORS | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2010-11-18 | — | — | WO | disclosed |
| CN-101365446-A | Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery via implantable medical devices | RESVERLOGIX CORP (CA) | 2009-02-11 | — | — | CN | disclosed |
| EP-1615635-A1 | PHARMACEUTICAL COMBINATION COMPRISING ELETRIPTAN AND SODIUM BICARBONATE | Pfizer Limited (GB) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004089365-A1 | PHARMACEUTICAL COMBINATION COMPRISING ELETRIPTAN AND SODIUM BICARBONATE | PFIZER LIMITED (GB) | 2004-10-21 | — | — | WO | disclosed |
| EP-1139990-A1 | AGENT FOR DYING KERATIN FIBERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000038635-A1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-07-06 | — | — | WO | disclosed |