Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 6/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL15187200 | 0.89 | ALDH1A1 (0.34) | ALDH1A1CYP3A4TSHRLMNABCHE | |
| SCHEMBL15187257 | 0.89 | ALDH1A1 (0.34) | ALDH1A1CYP3A4TSHRLMNABCHE | |
| SCHEMBL23945935 | 0.85 | TSHR (0.69) | ALDH1A1CYP3A4TSHRLMNAKDM4E | |
| SCHEMBL15187082 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRLMNATDP1 | |
| SCHEMBL17526743 | 0.82 | LMNA (0.52) | ALDH1A1CYP3A4TSHRLMNAKDM4E | |
| SCHEMBL17526778 | 0.82 | LMNA (0.52) | ALDH1A1CYP3A4TSHRLMNAKDM4E | |
| SCHEMBL19861193 | 0.81 | — | — | |
| SCHEMBL19861252 | 0.81 | — | — | |
| SCHEMBL17526763 | 0.81 | LMNA (0.55) | ALDH1A1CYP3A4TSHRLMNAKDM4E | |
| SCHEMBL15187301 | 0.77 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TSHRKDM4ECA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9890198-B2 | Cyclosporin derivatives and uses thereof | S&T GLOBAL INC. (US) | 2018-02-13 | — | — | US | disclosed |