Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2369279 | 0.99 | HDAC6 (0.41) | HDAC6MLYCDCA2MMP13POLB | |
| SCHEMBL10274857 | 0.87 | HDAC6 (0.41) | HDAC6MLYCDCA2MMP13NPC1 | |
| SCHEMBL10274759 | 0.87 | RXFP1 (0.44) | POLBNPC1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL506710 | 0.86 | HDAC6 (0.40) | HDAC6MLYCDCA2MMP13NPC1 | |
| SCHEMBL10476296 | 0.83 | CNR2 (0.43) | MAPK14SMYD3P2RX7 | |
| Succinic Acid SCHEMBL507841 | 0.83 | RXFP1 (0.43) | CA2POLBNPC1RAB9AKMT2A | |
| SCHEMBL10476261 | 0.83 | CNR2 (0.43) | MAPK14SMYD3P2RX7 | |
| SCHEMBL10476263 | 0.83 | CNR2 (0.43) | MAPK14SMYD3P2RX7 | |
| SCHEMBL10278060 | 0.82 | MEN1 (0.39) | POLBNPC1RAB9AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL507691 | 0.81 | MEN1 (0.38) | NPC1RAB9AMEN1KMT2ANAMPT |
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 |
|---|---|---|---|---|---|---|---|
| US-8580780-B2 | 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist | ELI LILLY AND COMPANY (US) | 2013-11-12 | — | — | US | claimed |
| EP-2479168-A1 | 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists | ELI LILLY AND COMPANY (US) | 2012-07-25 | — | — | EP | claimed |