Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 6/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | MDH2 | P40926 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2279243 | 0.92 | PARP1 (0.41) | PARP1KIF11NPC1RAB9AHTT | |
| SCHEMBL2275242 | 0.92 | PARP1 (0.44) | PARP1KIF11NPC1RAB9AMAPT | |
| SCHEMBL3684108 | 0.88 | PARP1 (0.38) | PARP1KIF11NPC1RAB9AHTT | |
| SCHEMBL2277016 | 0.81 | PARP1 (0.43) | PARP1KIF11NPC1RAB9AMAPK1 | |
| SCHEMBL2274667 | 0.81 | PARP1 (0.46) | PARP1KIF11RAB9AMAPTMAPK1 | |
| SCHEMBL2275260 | 0.80 | PARP1 (0.40) | PARP1KIF11HTTMAPTMAPK1 | |
| SCHEMBL772563 | 0.80 | PARP1 (0.46) | PARP1KIF11RAB9AHTTMAPK1 | |
| SCHEMBL2280142 | 0.80 | PARP1 (0.42) | PARP1KIF11RAB9AMAPTLMNA | |
| SCHEMBL13936706 | 0.80 | PARP1 (0.51) | PARP1KIF11RAB9AMAPK1MEN1 | |
| SCHEMBL1954431 | 0.79 | PARP1 (0.45) | PARP1KIF11MAPTLMNAMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2178886-A1 | MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS | Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009010785-A1 | MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-01-22 | — | — | WO | disclosed |