Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | RXRA | P19793 | 1/20 | 0.60 |
| ▸ | RXRB | P28702 | 1/20 | 0.60 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.56 |
| ▸ | FEN1 | P39748 | 1/20 | 0.56 |
| ▸ | TPMT | P51580 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA6 | P23280 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.56 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.53 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.53 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | KMO | O15229 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL1812467 | 1.00 | PARP1 (0.63) | PARP1NPC1RAB9ARXRARXRB | |
| Benzene SCHEMBL28107074 | 0.98 | PARP1 (0.65) | PARP1NPC1RAB9ARXRARXRB | |
| SCHEMBL16865710 | 0.98 | PARP1 (0.65) | PARP1NPC1RAB9ARXRARXRB | |
| SCHEMBL38766 | 0.98 | PARP1 (0.65) | PARP1NPC1RAB9ARXRARXRB | |
| SCHEMBL29360692 | 0.98 | PARP1 (0.65) | PARP1NPC1RAB9ARXRARXRB | |
| SCHEMBL28134936 | 0.98 | PARP1 (0.65) | PARP1NPC1RAB9ARXRARXRB | |
| SCHEMBL10602066 | 0.95 | PARP1 (0.63) | PARP1NPC1RAB9ARXRARXRB | |
| Hydrochloric Acid SCHEMBL3535766 | 0.95 | PARP1 (0.63) | PARP1NPC1RAB9ARXRARXRB | |
| SCHEMBL9317541 | 0.95 | PARP1 (0.63) | PARP1NPC1RAB9ARXRARXRB | |
| Water SCHEMBL1456948 | 0.95 | PARP1 (0.63) | PARP1NPC1RAB9ARXRARXRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-111417618-B | Process for preparing enantiomerically and diastereomerically enriched cyclobutane amines and amides | 先正达参股股份有限公司 | 2023-06-30 | — | — | CN | disclosed |