Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | RARB | P10826 | 3/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774823 | 0.98 | HTR2A (0.46) | HTR2ARARBESR1ADRA2AADORA3 | |
| SCHEMBL8774036 | 0.94 | RARB (0.49) | HTR2ARARBESR1ADRA2AADORA3 | |
| SCHEMBL8774498 | 0.94 | HTR2A (0.40) | HTR2ARARBESR1ADRA2AADORA3 | |
| SCHEMBL8774250 | 0.90 | RARB (0.44) | RARBALDH1A1TP53HSD17B10RARA | |
| SCHEMBL8774829 | 0.87 | RAB9A (0.36) | ALDH1A1TP53HSD17B10LPLLIPG | |
| SCHEMBL8774859 | 0.85 | HTR2A (0.42) | HTR2ARARBESR1ADRA2AADORA3 | |
| SCHEMBL8774813 | 0.85 | MEN1 (0.42) | ALDH1A1LMNACYP3A4 | |
| SCHEMBL8775001 | 0.84 | PKM (0.42) | RARBALDH1A1LMNACYP3A4RARA | |
| SCHEMBL8775165 | 0.84 | TAAR1 (0.42) | HTR2ALMNATP53HTR2CPTGS1 | |
| SCHEMBL8774334 | 0.83 | NPC1 (0.40) | RARBTP53HSD17B10RARARARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |