Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.47 |
| ▸ | CHRNG | P07510 | 1/20 | 0.47 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CHRND | Q07001 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11756011 | 0.92 | ALDH1A1 (0.50) | PARP1ALDH1A1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL11753457 | 0.92 | ALDH1A1 (0.54) | PARP1ALDH1A1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL27991491 | 0.82 | PARP1 (0.57) | PARP1ALDH1A1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL5774592 | 0.81 | CES2 (0.60) | PARP1ALDH1A1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL7458067 | 0.80 | ALDH1A1 (0.44) | PARP1ALDH1A1GAAS1PR4S1PR3 | |
| SCHEMBL28146942 | 0.80 | PARP1 (0.41) | PARP1ALDH1A1SLC6A2SLC6A3TP53 | |
| SCHEMBL1794536 | 0.79 | PARP1 (0.50) | PARP1ALDH1A1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL8398736 | 0.79 | PARP1 (0.58) | PARP1ALDH1A1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL29419376 | 0.79 | PARP1 (0.53) | PARP1ALDH1A1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL18387761 | 0.79 | PARP1 (0.53) | PARP1ALDH1A1CHRNA1CHRNGCHRNB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4051250-A | OXAZOLE, THIAZOLE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-27 | — | — | US | disclosed |
| US-3933840-A | ANTIPHLOGISTIC | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-01-20 | — | — | US | disclosed |