Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | TNKS | O95271 | 1/20 | 0.50 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.50 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL726592 | 0.88 | AKR1C3 (0.62) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL1193379 | 0.86 | AKR1C3 (0.72) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL10933601 | 0.86 | AKR1C3 (0.60) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL6200942 | 0.85 | AKR1C3 (0.77) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL10782197 | 0.84 | AKR1C3 (0.70) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL7742691 | 0.84 | PARP10 (0.64) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL727287 | 0.84 | PARP10 (0.64) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL6202616 | 0.84 | LMNA (0.64) | KDM4ELMNAGRM5 | |
| Hydrochloric Acid SCHEMBL6199364 | 0.83 | AKR1C3 (0.74) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL10496906 | 0.81 | TNKS (0.60) | AKR1C3TNKSPARP15PARP14PARP10 |
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 |