Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 8/20 | 0.43 |
| ▸ | GFER | P55789 | 2/20 | 0.42 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | GRK6 | P43250 | 1/20 | 0.39 |
| ▸ | TERT | O14746 | 1/20 | 0.38 |
| ▸ | S100B | P04271 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9013403 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL22159396 | 0.78 | ESR1 (0.38) | — | |
| SCHEMBL28507546 | 0.72 | CHRNA7 (0.38) | ALDH1A1TSHRTDP1KDM4EMEN1 | |
| SCHEMBL131813 | 0.72 | ALDH1A1 (0.56) | ALDH1A1TSHRCNR2GFERPSMD14 | |
| SCHEMBL1735497 | 0.71 | ALDH1A1 (0.74) | ALDH1A1TSHRCNR2GFERPSMD14 | |
| SCHEMBL28914917 | 0.70 | ALDH1A1 (0.50) | ALDH1A1TSHRCNR2GFERPSMD14 | |
| SCHEMBL12000833 | 0.70 | ALDH1A1 (0.54) | ALDH1A1TSHRCNR2GFERPSMD14 | |
| SCHEMBL10080950 | 0.70 | ALDH1A1 (0.60) | ALDH1A1TSHRCNR2GFERPSMD14 | |
| SCHEMBL4434581 | 0.70 | ALDH1A1 (0.54) | ALDH1A1TSHRCNR2GFERPSMD14 | |
| SCHEMBL10578908 | 0.70 | IDO1 (0.38) | TSHRMAPK1KDM4E |
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-5558700-A | QUINAZOLENE OR PYRIDINE ELECTRON DONOR, ELECTRON ACCEPTOR | THE PILOT INK CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |