Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.67 |
| ▸ | MAPT | P10636 | 4/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.67 |
| ▸ | HTT | P42858 | 3/20 | 0.67 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.67 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.67 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | MITF | O75030 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28728423 | 0.94 | TSHR (0.67) | ALDH1A1HSP90AA1MAPTNPSR1HTT | |
| SCHEMBL18561137 | 0.86 | VCAM1 (0.53) | ALDH1A1HSP90AA1MAPTNPSR1HTT | |
| SCHEMBL13717179 | 0.86 | ALDH1A1 (0.52) | ALDH1A1HSP90AA1MAPTNPSR1HTT | |
| SCHEMBL18561131 | 0.85 | FFAR1 (0.52) | ALDH1A1HSP90AA1MAPTNPSR1HTT | |
| SCHEMBL13622489 | 0.84 | ALDH1A1 (0.70) | ALDH1A1HSP90AA1MAPTNPSR1HTT | |
| SCHEMBL29433452 | 0.83 | TSHR (0.57) | ALDH1A1HSP90AA1MAPTNPSR1HTT | |
| SCHEMBL3874391 | 0.83 | ALDH1A1 (0.60) | ALDH1A1HSP90AA1MAPTNPSR1HTT | |
| SCHEMBL1507602 | 0.83 | TSHR (0.57) | ALDH1A1HSP90AA1MAPTNPSR1HTT | |
| SCHEMBL10729521 | 0.83 | TSHR (0.57) | ALDH1A1HSP90AA1MAPTNPSR1HTT | |
| SCHEMBL12350152 | 0.82 | NFE2L2 (0.57) | ALDH1A1HSP90AA1MAPTNPSR1HTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113248455-A | 3, 5-disubstituted isoxazole derivatives and synthesis method thereof | 湖北科技学院 | 2021-08-13 | — | — | CN | claimed |
| EP-0443352-B1 | Polyimides end-capped with diaryl substituted acetylene | NAT STARCH CHEM INVEST (US) | 1995-12-06 | — | — | EP | disclosed |
| US-5449740-A | Resin systems derived from insitu-generated bisdienes from bis-benzocyclobutene compounds | THE UNIVERSITY OF DAYTON (US) | 1995-09-12 | — | — | US | disclosed |
| US-5138028-A | Composites, molding materials, adhesives, electronics | NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) | 1992-08-11 | — | — | US | disclosed |
| EP-0443352-A2 | Polyimides end-capped with diaryl substituted acetylene | National Starch and Chemical Investment Holding Corporation (US) | 1991-08-28 | — | — | EP | disclosed |
| EP-0001479-A2 | Process for the preparation of nitrophenylhydroxyacetylene and conversion to nitrophenylacetylene | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1979-04-18 | — | — | EP | disclosed |
| US-4128588-A | PALLADIUM-PHOSPHINE COMPLEX CATALYST | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1978-12-05 | — | — | US | disclosed |