Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8330394 | 0.91 | ALOX5 (0.49) | SIGMAR1ADRB2ADRB1ADRB3ALOX5 | |
| SCHEMBL10641868 | 0.85 | MAPK1 (0.42) | SIGMAR1ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL10638313 | 0.85 | ALDH1A1 (0.45) | SIGMAR1ADRB2ADRB1ADRB3ALOX5 | |
| SCHEMBL11044150 | 0.84 | PRMT6 (0.54) | SIGMAR1ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL11042035 | 0.84 | ALDH1A1 (0.44) | SIGMAR1ADRB2ADRB1ADRB3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10643081 | 0.84 | MAPK1 (0.41) | SIGMAR1ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL27059092 | 0.84 | ALDH1A1 (0.50) | SIGMAR1ALDH1A1KDM4CHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL10642458 | 0.83 | ALDH1A1 (0.43) | SIGMAR1ADRB2ADRB1ADRB3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10641016 | 0.83 | PRMT6 (0.52) | SIGMAR1ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL10639738 | 0.81 | ALDH1A1 (0.41) | ADRB2ADRB1ADRB3ALDH1A1KDM4C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019154366-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 江苏奥赛康药业有限公司 | 2019-08-15 | — | — | WO | disclosed |
| US-6025355-A | SUBSTITUTED INDOLINYL AND DERIVATIVES THEREOF, NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS. | CAMBRIDGE NEUROSCIENCE, INC. (US) | 2000-02-15 | — | — | US | disclosed |