Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11594885 | 0.89 | TP53 (0.58) | SIGMAR1TAAR1ATMTP53ALDH1A1 | |
| Benzene SCHEMBL28308118 | 0.89 | TP53 (0.58) | SIGMAR1TAAR1ATMTP53ALDH1A1 | |
| Benzene SCHEMBL3223041 | 0.89 | TP53 (0.58) | SIGMAR1TAAR1ATMTP53ALDH1A1 | |
| SCHEMBL40575 | 0.89 | — | — | |
| Isopropyl Alcohol SCHEMBL28164596 | 0.88 | SIGMAR1 (0.51) | SIGMAR1TP53ALDH1A1HPGDALOX15 | |
| Isopropylamine SCHEMBL8828022 | 0.88 | TAAR1 (0.54) | SIGMAR1TAAR1TP53MAOASLC6A2 | |
| Bromide SCHEMBL7216374 | 0.87 | TP53 (0.55) | SIGMAR1TAAR1ATMTP53ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5792976 | 0.87 | TP53 (0.55) | SIGMAR1TAAR1ATMTP53ALDH1A1 | |
| SCHEMBL19066702 | 0.87 | TAAR1 (0.56) | SIGMAR1TAAR1ATMALDH1A1HPGD | |
| Ammonia Solution, Strong SCHEMBL479482 | 0.87 | TP53 (0.55) | SIGMAR1TAAR1ATMTP53ALDH1A1 |
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-3497073-A1 | METHOD OF STARTING UP A REACTOR FOR THE OXIDATIVE DEHYDROGENATION OF N-BUTENES | BASF SE (DE) | 2019-06-19 | — | — | EP | disclosed |