Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RARA | P10276 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774250 | 0.95 | RARB (0.44) | RARBALDH1A1HSD17B10RARARARG | |
| SCHEMBL8774823 | 0.95 | HTR2A (0.46) | HTR2ARARBALDH1A1HSD17B10RARA | |
| SCHEMBL8774041 | 0.94 | HTR2A (0.49) | HTR2ARARBALDH1A1HSD17B10RARA | |
| SCHEMBL8774036 | 0.91 | RARB (0.49) | HTR2ARARBALDH1A1HSD17B10HPGD | |
| SCHEMBL8774829 | 0.90 | RAB9A (0.36) | CA2ALDH1A1HSD17B10SMN1; SMN2TP53 | |
| SCHEMBL8775001 | 0.87 | PKM (0.42) | RARBALDH1A1RARASMN1; SMN2LMNA | |
| SCHEMBL8775165 | 0.87 | TAAR1 (0.42) | HTR2ATP53NPC1RAB9AGPR84 | |
| SCHEMBL8774867 | 0.86 | CTRC (0.39) | HTR2ACA2CA1RARBALDH1A1 | |
| SCHEMBL8774334 | 0.86 | NPC1 (0.40) | RARBHSD17B10RARARARGSMN1; SMN2 | |
| SCHEMBL8774813 | 0.84 | MEN1 (0.42) | ALDH1A1SMN1; SMN2LMNACYP3A4 |
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 |