Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MYC | P01106 | 2/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9063741 | 0.88 | NPC1 (0.39) | NAPRTKDM5AKDM4CKDM5BNPC1 | |
| SCHEMBL7553608 | 0.86 | NAPRT (0.46) | NAPRTKDM5AKDM4CKDM5BMYC | |
| SCHEMBL8798744 | 0.78 | NAPRT (0.44) | NAPRTKDM5AKDM4CKDM5BRAB9A | |
| SCHEMBL8813141 | 0.78 | NAPRT (0.44) | NAPRTKDM5AKDM4CKDM5BNPC1 | |
| SCHEMBL7547894 | 0.76 | MAPT (0.46) | NAPRTKDM5AKDM4CKDM5BNOS3 | |
| Toluene SCHEMBL7547892 | 0.75 | NAPRT (0.44) | NAPRTKDM4CMYCPRKCIALDH1A1 | |
| SCHEMBL19857454 | 0.75 | NAPRT (0.57) | NAPRTKDM5AKDM4CKDM5BRAB9A | |
| SCHEMBL20520335 | 0.74 | NAPRT (0.47) | NAPRTKDM4CRAB9APRKCINOS3 | |
| SCHEMBL8891362 | 0.73 | ALDH1A1 (0.56) | NAPRTMYCALDH1A1KDM4EPOLB | |
| SCHEMBL1260539 | 0.73 | NOS2 (0.52) | NAPRTKDM5ANPC1RAB9ANOS3 |
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-1997049708-A9 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | — | 1998-05-22 | — | — | WO | disclosed |