Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | AGER | Q15109 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2770958 | 0.82 | PARP1 (0.51) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL15175542 | 0.75 | GRM4 (0.38) | KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL3716902 | 0.74 | PARP1 (0.44) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL27514150 | 0.74 | GAA (0.53) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3714492 | 0.73 | JAK3 (0.43) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL2488255 | 0.73 | PARP1 (0.53) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3714860 | 0.72 | KCNA5 (0.49) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL2713150 | 0.72 | JAK3 (0.45) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL447126 | 0.72 | NAPRT (0.68) | PARP1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28905992 | 0.72 | P2RX7 (0.65) | PARP1KDM4EALDH1A1HPGDHSD17B10 |
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-6743794-B2 | MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE | ELI LILLY AND COMPANY | 2004-06-01 | — | — | US | disclosed |