Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | C1S | P09871 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL67643 | 0.92 | — | — | |
| SCHEMBL27601160 | 0.90 | — | — | |
| SCHEMBL29278625 | 0.85 | ALDH1A1 (0.42) | ALDH1A1MAPK1TAAR1C1SPARP1 | |
| SCHEMBL27629312 | 0.78 | GABRG2 (0.43) | ALDH1A1MAPK1IDO1MEN1KMT2A | |
| SCHEMBL28737718 | 0.73 | ACHE (0.41) | ALDH1A1MAPK1TAAR1PARP1IDO1 | |
| SCHEMBL27714378 | 0.73 | ACHE (0.50) | ALDH1A1MAPK1TAAR1PARP1TDP1 | |
| SCHEMBL5536412 | 0.73 | MAOB (0.44) | ALDH1A1MEN1KMT2AMAOB | |
| SCHEMBL29142227 | 0.73 | ENPP2 (0.42) | ALDH1A1IDO1MEN1KMT2AMAOB | |
| Ethylene SCHEMBL27459981 | 0.72 | ALDH1A1 (0.55) | ALDH1A1MAPK1TAAR1C1SPARP1 | |
| SCHEMBL150818 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106999479-B | Heteroaryl compounds useful as inhibitors of SUMO activating enzyme | 米伦纽姆医药公司 | 2021-07-16 | — | — | CN | disclosed |
| CN-106999479-A | It can be used as the heteroaryl compound of SUMO activating enzyme inhibitors | 米伦纽姆医药公司 | 2017-08-01 | — | — | CN | disclosed |