Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | OXTR | P30559 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL11208661 | 1.00 | ALDH1A1 (0.37) | ALDH1A1GAAKMT2APKMHDAC1 | |
| SCHEMBL11290317 | 1.00 | ALDH1A1 (0.37) | ALDH1A1GAAKMT2APKMHDAC1 | |
| SCHEMBL10769861 | 0.83 | ALDH1A1 (0.39) | ALDH1A1GAAKMT2AHDAC1TSHR | |
| SCHEMBL10546644 | 0.82 | ALDH1A1 (0.38) | ALDH1A1GAAKMT2AHDAC1HDAC11 | |
| SCHEMBL11289228 | 0.79 | NAAA (0.36) | ALDH1A1OXTR | |
| SCHEMBL11291088 | 0.79 | NAAA (0.36) | ALDH1A1OXTR | |
| SCHEMBL10542453 | 0.79 | NAAA (0.36) | ALDH1A1OXTR | |
| SCHEMBL11277365 | 0.74 | TP53 (0.35) | ALDH1A1GAAKMT2ATSHRTP53 | |
| SCHEMBL11212764 | 0.74 | TP53 (0.35) | ALDH1A1GAAKMT2ATSHRTP53 | |
| SCHEMBL9347501 | 0.73 | HDAC1 (0.41) | ALDH1A1GAAKMT2AHDAC1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0095764-A2 | 2-Oxoazetidinone derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1983-12-07 | — | — | EP | disclosed |