Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28985304 | 1.00 | PTGS1 (0.39) | PTGS1PTGS2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30475172 | 0.88 | NPC1 (0.41) | PTGS1PTGS2RAB9ACYP1A2NPC1 | |
| SCHEMBL28985300 | 0.88 | NPC1 (0.41) | PTGS1PTGS2RAB9ACYP1A2NPC1 | |
| SCHEMBL28985301 | 0.88 | NPC1 (0.41) | PTGS1PTGS2RAB9ACYP1A2NPC1 | |
| SCHEMBL28985171 | 0.86 | CYP3A4 (0.39) | SLC6A2SLC6A4SLC6A3TSHRRAB9A | |
| SCHEMBL28985168 | 0.86 | CYP3A4 (0.39) | SLC6A2SLC6A4SLC6A3TSHRRAB9A | |
| SCHEMBL28985305 | 0.83 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3TSHRRAB9A | |
| SCHEMBL28985306 | 0.83 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3TSHRRAB9A | |
| SCHEMBL28985199 | 0.78 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3TSHRRAB9A | |
| SCHEMBL28985200 | 0.78 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3TSHRRAB9A |
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-115974927-A | Diamine-derived phosphine chiral phosphine oxide ligand-promoted nickel-catalyzed asymmetric alkylation of pyridine C2-H bond | 南开大学 | 2023-04-18 | — | — | CN | disclosed |