Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10586581 | 0.82 | S100B (0.40) | S100BALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8586253 | 0.77 | S100B (0.43) | S100BALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL4636717 | 0.75 | S100B (0.48) | S100BALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL4652973 | 0.73 | S100B (0.43) | S100BALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL27588271 | 0.73 | S100B (0.47) | S100BALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL5514568 | 0.72 | CD44 (0.46) | S100BALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL11884085 | 0.71 | S100B (0.41) | S100BALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL7655945 | 0.70 | ALDH1A1 (0.44) | S100BALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL9417107 | 0.69 | ALDH1A1 (0.40) | S100BALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL5356606 | 0.69 | NOS3 (0.39) | S100BALDH1A1CYP3A4TSHRTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0803063-A4 | METHODS FOR PRODUCTION OF LARGE CATALOGUED CHEMICAL LIBRARIES | PANLABS INC (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0803063-A1 | METHODS FOR PRODUCTION OF LARGE CATALOGUED CHEMICAL LIBRARIES | PANLABS INCORPORATED (US) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021859-A1 | METHODS FOR PRODUCTION OF LARGE CATALOGUED CHEMICAL LIBRARIES | PANLABS, INC. (US) | 1996-07-18 | — | — | WO | disclosed |