Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | GFER | P55789 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14484063 | 0.87 | NPC1 (0.46) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL12750624 | 0.80 | PARP1 (0.63) | PARP1 | |
| SCHEMBL6507233 | 0.75 | PARP1 (0.42) | RAB9ANPC1KDM4EALDH1A1NPSR1 | |
| SCHEMBL6199833 | 0.69 | PARP1 (0.66) | PARP1 | |
| SCHEMBL13475833 | 0.68 | PARP1 (0.40) | ALDH1A1USP2HSD17B10PARP1HPGD | |
| SCHEMBL12750614 | 0.68 | PARP1 (0.57) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL6139222 | 0.66 | PARP1 (0.44) | KDM4ELMNAKMT2AMAPTUSP2 | |
| SCHEMBL2080582 | 0.65 | NPC1 (0.47) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL8483043 | 0.65 | PARP1 (0.69) | RAB9AKDM4EALDH1A1KMT2AMAPT | |
| Ethylene SCHEMBL6511634 | 0.64 | PARP1 (0.42) | KDM4ELMNAKMT2AMAPTUSP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE41150-E1 | Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one | EISAI CORPORATION OF NORTH AMERICA (US) | 2010-02-23 | — | — | US | disclosed |