Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.49 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ARG2 | P78540 | 1/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | FABP1 | P07148 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29000605 | 1.00 | MEN1 (0.58) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL56251 | 0.82 | NPC1 (0.54) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL6485220 | 0.81 | MEN1 (0.46) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL6485214 | 0.81 | MEN1 (0.46) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL16539794 | 0.81 | NPC1 (0.46) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL4081631 | 0.81 | GPR52 (0.54) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL4081636 | 0.81 | GPR52 (0.54) | MEN1NPC1RAB9AKMT2AATM | |
| Allylbenzene SCHEMBL28326101 | 0.76 | MEN1 (0.47) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL256048 | 0.75 | NPC1 (0.62) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL11105985 | 0.75 | NPC1 (0.62) | MEN1NPC1RAB9AKMT2AATM |
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-111499558-B | Asymmetric reduction method of chiral spiro-bis-boron catalytic substituted pyridine and application thereof | 南开大学 | 2022-10-18 | — | — | CN | disclosed |