Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5462451 | 0.81 | — | — | |
| SCHEMBL22571321 | 0.75 | HCAR2 (0.37) | ALDH1A1TSHRHPGDHCAR2TDP1 | |
| SCHEMBL616777 | 0.74 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDCA12 | |
| SCHEMBL2458458 | 0.74 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDCA12 | |
| SCHEMBL3287227 | 0.74 | — | — | |
| SCHEMBL11122265 | 0.73 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL18532680 | 0.72 | — | — | |
| SCHEMBL11054925 | 0.72 | ALDH1A1 (0.54) | ALDH1A1ATMTSHRHPGDCA12 | |
| SCHEMBL137933 | 0.70 | ALDH1A1 (0.65) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL3296801 | 0.70 | ALDH1A1 (0.46) | ALDH1A1ATMTSHRHPGDCA12 |
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 |
|---|---|---|---|---|---|---|---|
| JP-10087598-A | — | — | None | — | — | JP | disclosed |
| JP-H1087598-A | DISTILLATION PURIFICATION OF DIURETHANE | BAYER AG | 1998-04-07 | — | — | JP | disclosed |