Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 1.00 |
| ▸ | POLB | P06746 | 5/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 1.00 |
| ▸ | MEN1 | O00255 | 4/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 4/20 | 1.00 |
| ▸ | NPC1 | O15118 | 3/20 | 1.00 |
| ▸ | RAB9A | P51151 | 3/20 | 1.00 |
| ▸ | MAPT | P10636 | 2/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 1.00 |
| ▸ | HPGD | P15428 | 1/20 | 1.00 |
| ▸ | PTK2B | Q14289 | 1/20 | 1.00 |
| ▸ | IP6K1 | Q92551 | 11/20 | 0.74 |
| ▸ | IP6K2 | Q9UHH9 | 10/20 | 0.68 |
| ▸ | IP6K3 | Q96PC2 | 9/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL30967420 | 0.85 | IP6K1 (1.00) | KDM4EPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL4934034 | 0.85 | ALDH1A1 (1.00) | KDM4EPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL25352733 | 0.85 | KDM4E (0.73) | KDM4EPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL31265142 | 0.85 | KDM4E (0.73) | KDM4EPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL14943768 | 0.82 | ALDH1A1 (0.69) | KDM4EPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL25990191 | 0.81 | IP6K1 (1.00) | KDM4EPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL25353212 | 0.81 | IP6K1 (0.80) | KDM4EPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL30967412 | 0.78 | IP6K1 (0.75) | KDM4EPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL6012040 | 0.76 | ALDH1A1 (0.73) | KDM4EPOLBALDH1A1MEN1KMT2A | |
| SCHEMBL12401807 | 0.75 | ALDH1A1 (0.59) | KDM4EPOLBALDH1A1MEN1KMT2A |
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 |