Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23579159 | 0.98 | NPC1 (0.56) | NPC1RAB9AP2RX7KMT2ACYP2C19 | |
| SCHEMBL728684 | 0.90 | NPC1 (0.50) | NPC1RAB9AKMT2ACYP2C19HSD11B1 | |
| SCHEMBL5283531 | 0.83 | NPC1 (0.45) | NPC1RAB9AP2RX7KMT2ACYP2C19 | |
| SCHEMBL13283436 | 0.82 | KDM2B (0.46) | NPC1RAB9AP2RX7KMT2ATSHR | |
| SCHEMBL8195578 | 0.82 | NPC1 (0.55) | NPC1RAB9AP2RX7KMT2ATSHR | |
| SCHEMBL4671427 | 0.82 | HSD11B1 (0.45) | NPC1RAB9AKMT2ACYP2C19HSD11B1 | |
| SCHEMBL4671430 | 0.82 | HTR3E (0.55) | NPC1RAB9AKMT2AHSD11B1MGLL | |
| Hydrochloric Acid SCHEMBL15566797 | 0.81 | MEN1 (0.57) | NPC1RAB9AKMT2AHSD11B1MGLL | |
| SCHEMBL16285312 | 0.81 | ALDH1A1 (0.54) | KMT2ACYP2C19HSD11B1MGLLALDH1A1 | |
| Bromide SCHEMBL10968188 | 0.81 | HTR3E (0.54) | NPC1RAB9AKMT2AHSD11B1MGLL |
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-1720836-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005082859-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ELI LILLY AND COMPANY (US) | 2005-09-09 | — | — | WO | disclosed |