Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27310345 | 0.93 | ESR1 (0.42) | ACE2S1PR1S1PR2ESR1ADRA2A | |
| SCHEMBL11843155 | 0.85 | TSHR (0.33) | TSHR | |
| SCHEMBL25226516 | 0.84 | CSNK1E (0.41) | ACE2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11586485 | 0.84 | CSNK1E (0.41) | ACE2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11586541 | 0.84 | CSNK1E (0.41) | ACE2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL11589443 | 0.84 | CSNK1E (0.41) | ACE2ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL6679579 | 0.82 | CSNK1E (0.49) | ACE2S1PR1S1PR2TP53HTR2A | |
| SCHEMBL31490485 | 0.82 | CSNK1E (0.49) | ACE2S1PR1S1PR2TP53HTR2A | |
| SCHEMBL11585337 | 0.82 | CSNK1E (0.38) | ACE2ALDH1A1 | |
| SCHEMBL981189 | 0.82 | S1PR1 (0.36) | S1PR1S1PR2ESR1ADRA2AADORA3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| CN-1114602-C | Ketone derivatives and medicinal use thereof | TORAY INDUSTRIES (JP) | 2003-07-16 | — | — | CN | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |
| CN-1242771-A | Ketone derivatives and medicinal use thereof | TORAY INDUSTRIES (JP) | 2000-01-26 | — | — | CN | disclosed |