Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | GCG | P01275 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27619377 | 0.82 | CYP1A2 (0.52) | PLK1CYP1A2NPC1RAB9AKDM4E | |
| SCHEMBL24117372 | 0.81 | CYP2A6 (0.56) | PLK1CYP1A2NPC1RAB9AKDM4E | |
| SCHEMBL13597529 | 0.80 | HTT (0.61) | CYP1A2NPC1RAB9AKDM4EMITF | |
| SCHEMBL31435495 | 0.80 | HTT (0.61) | CYP1A2NPC1RAB9AKDM4EMITF | |
| SCHEMBL16205920 | 0.80 | PARP1 (0.49) | CYP1A2LCKALPLSMN1; SMN2KMT2A | |
| SCHEMBL30024398 | 0.76 | PLK1 (0.47) | PLK1CYP1A2NPC1RAB9AKDM4E | |
| SCHEMBL10102364 | 0.76 | ALDH1A1 (0.54) | CYP1A2NPC1RAB9AKDM4EMITF | |
| SCHEMBL4430795 | 0.75 | NPC1 (0.57) | NPC1RAB9AKDM4EHTTALDH1A1 | |
| SCHEMBL30024818 | 0.74 | KLKB1 (0.49) | KLKB1MAP4K1 | |
| SCHEMBL28666318 | 0.73 | MGAM (0.65) | CYP1A2NPC1RAB9AKDM4EMITF |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021214136-A1 | RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2021-10-28 | — | — | WO | disclosed |