Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29410398 | 1.00 | NPC1 (0.53) | NPC1ROCK2MEN1KMT2AGAA | |
| SCHEMBL10431761 | 0.86 | SPHK1 (0.56) | NPC1ROCK2MEN1KMT2AGAA | |
| SCHEMBL29410393 | 0.82 | ALDH1A1 (0.53) | NPC1ROCK2MEN1KMT2AGAA | |
| SCHEMBL29410408 | 0.82 | MAPT (0.56) | NPC1ALDH1A1MAPTCA12CA1 | |
| SCHEMBL28717992 | 0.82 | MAPT (0.56) | NPC1ALDH1A1MAPTCA12CA1 | |
| SCHEMBL28714741 | 0.82 | ALDH1A1 (0.53) | NPC1ROCK2MEN1KMT2AGAA | |
| SCHEMBL29410403 | 0.81 | POLB (0.53) | NPC1MEN1KMT2AGAAATM | |
| SCHEMBL29410395 | 0.80 | MEN1 (0.57) | NPC1MEN1KMT2AGAAALDH1A1 | |
| SCHEMBL28717980 | 0.80 | MEN1 (0.57) | NPC1MEN1KMT2AGAAALDH1A1 | |
| SCHEMBL6663334 | 0.79 | ROCK2 (0.60) | NPC1ROCK2MEN1KMT2AGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-110903341-B | Progesterone-pyrazine amide compound, preparation method and anticancer application thereof | 西北农林科技大学 | 2022-03-15 | — | — | CN | disclosed |
| CN-110903341-A | Progesterone-pyrazine amide compound, preparation method and anticancer application thereof | 西北农林科技大学 | 2020-03-24 | — | — | CN | disclosed |