Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | GRM5 | P41594 | 6/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1984609 | 0.86 | AKR1C3 (0.67) | LMNATDP1GRM5KDM4EALDH1A1 | |
| SCHEMBL726592 | 0.85 | AKR1C3 (0.62) | KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6202981 | 0.84 | AKR1C3 (0.65) | LMNATDP1GRM5KDM4EALDH1A1 | |
| SCHEMBL6201657 | 0.84 | AKR1C3 (0.54) | LMNAGRM5KDM4E | |
| SCHEMBL10933601 | 0.83 | AKR1C3 (0.60) | KDM4EALDH1A1 | |
| SCHEMBL6201975 | 0.82 | ALDH1A1 (0.64) | LMNATDP1GRM5KDM4EUSP2 | |
| SCHEMBL1193379 | 0.80 | AKR1C3 (0.72) | LMNAKDM4EALDH1A1 | |
| SCHEMBL205967 | 0.79 | KMO (0.73) | ALDH1A1CYP19A1 | |
| SCHEMBL7742691 | 0.78 | PARP10 (0.64) | KDM4E | |
| SCHEMBL10782197 | 0.78 | AKR1C3 (0.70) | KDM4E |
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 |