Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Indene SCHEMBL4305388 | 0.76 | CA1 (0.36) | NPC1RAB9ACA1CA2CYP2D6 | |
| Indene SCHEMBL6247868 | 0.76 | CA1 (0.36) | NPC1RAB9ACA1CA2CYP2D6 | |
| Indene SCHEMBL6627120 | 0.75 | CA1 (0.36) | NPC1RAB9ACA1CA2CYP2D6 | |
| Indene SCHEMBL6628425 | 0.75 | CA2 (0.36) | NPC1RAB9ACA1CA2CYP2D6 | |
| Anthracene SCHEMBL28057537 | 0.71 | CA1 (0.47) | CA1CA2CYP2D6CYP2C19MAPT | |
| Naphthalene SCHEMBL2783692 | 0.71 | CA1 (0.50) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL27563612 | 0.71 | CA1 (0.53) | CA1CA2CYP2D6CYP2C19PARP1 | |
| Indene SCHEMBL4756119 | 0.69 | AHR (0.59) | NPC1CA1CA2CYP2D6CYP2C19 | |
| Indene SCHEMBL29350094 | 0.69 | — | — | |
| Indene SCHEMBL8617 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567561-B1 | BIMETALLIC INDENOINDOLYL CATALYSTS | EQUISTAR CHEM LP (US) | 2009-05-27 | — | — | EP | disclosed |
| US-6841500-B2 | Bimetallic indenoindolyl catalysts | EQUISTAR CHEMICALS, LP (US) | 2005-01-11 | — | — | US | disclosed |
| US-20040106514-A1 | Bimetallic indenoindolyl catalysts | EQUISTAR CHEMICALS, LP | 2004-06-03 | — | — | US | disclosed |