Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.56 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | GRM5 | P41594 | 1/20 | 0.52 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2436534 | 0.86 | L3MBTL1 (0.65) | ALDH1A1L3MBTL1MEN1MAPK1KMT2A | |
| SCHEMBL27530951 | 0.85 | ALDH1A1 (0.70) | ALDH1A1CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL3530054 | 0.85 | KMT2A (0.64) | ALDH1A1LMNATDP1CYP19A1CYP11B1 | |
| SCHEMBL6243390 | 0.85 | L3MBTL1 (0.58) | ALDH1A1LMNAL3MBTL1KDM4EMEN1 | |
| SCHEMBL1984609 | 0.83 | AKR1C3 (0.67) | ALDH1A1LMNATDP1KDM4EGAA | |
| SCHEMBL1399775 | 0.82 | CYP19A1 (0.74) | ALDH1A1CYP19A1CYP11B1CYP11B2KDM4E | |
| SCHEMBL6202616 | 0.82 | LMNA (0.64) | ALDH1A1LMNATDP1CYP19A1KDM4E | |
| Hydrochloric Acid SCHEMBL6202981 | 0.82 | AKR1C3 (0.65) | ALDH1A1LMNATDP1KDM4EGAA | |
| SCHEMBL7765921 | 0.81 | TDP1 (0.54) | ALDH1A1LMNATDP1CYP19A1GAA | |
| SCHEMBL521860 | 0.81 | AKR1C3 (0.68) | ALDH1A1LMNAL3MBTL1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1208104-B1 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMA (US) | 2005-01-19 | — | — | EP | disclosed |
| US-6548494-B1 | 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases | AGOURON PHARMACEUTICALS, INC. | 2003-04-15 | — | — | US | disclosed |
| EP-1208104-A2 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMACEUTICALS, INC. (US) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001016136-A2 | TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES | AGOURON PHARMACEUTICALS, INC. (US) | 2001-03-08 | — | — | WO | disclosed |