Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | AGER | Q15109 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4186883 | 0.78 | KDM4E (0.65) | PARP1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL31582320 | 0.72 | PARP1 (0.46) | PARP1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL14324876 | 0.72 | KDM4E (0.81) | PARP1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL29916420 | 0.70 | KDM4E (0.55) | PARP1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL945856 | 0.70 | KDM4E (0.55) | PARP1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL3620548 | 0.69 | GRM5 (0.51) | PARP1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL31660092 | 0.69 | PARP1 (0.50) | PARP1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL16059482 | 0.69 | PARP1 (0.50) | PARP1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL29455925 | 0.68 | GRM5 (0.50) | PARP1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL30108233 | 0.68 | PARP1 (0.49) | PARP1KDM4ETDP1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004065388-A1 | FLUOROIMIDAZOPYRIMIDINES AS GABA-A ALPHA 2/3 LIGANDS FOR DEPRESSION/ANXIETY | MERCK SHARP & DOHME LIMITED (GB) | 2004-08-05 | — | — | WO | disclosed |