Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.81 |
| ▸ | RAB9A | P51151 | 6/20 | 0.81 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.81 |
| ▸ | MAPT | P10636 | 4/20 | 0.81 |
| ▸ | LMNA | P02545 | 2/20 | 0.81 |
| ▸ | THRB | P10828 | 1/20 | 0.81 |
| ▸ | HPGD | P15428 | 1/20 | 0.81 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.67 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.67 |
| ▸ | RELA | Q04206 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 7/20 | 0.41 |
| ▸ | WDR5 | P61964 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11262338 | 0.90 | NPC1 (0.94) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL9990852 | 0.90 | NPC1 (1.00) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL11263541 | 0.86 | NPC1 (0.59) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL11250955 | 0.84 | KDM4E (0.57) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL11252521 | 0.84 | NPC1 (0.82) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL11249581 | 0.77 | NPC1 (0.66) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL11243245 | 0.77 | NPC1 (0.66) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL11251615 | 0.75 | ALDH1A1 (0.68) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL11257591 | 0.74 | RAB9A (0.61) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL11252704 | 0.73 | NPC1 (0.65) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4313950-A | Antireproductive tricyclic ortho-fused nitrogen containing compounds | GRUPPO LEPETIT S.P.A. (IT) | 1982-02-02 | — | — | US | disclosed |
| US-4275066-A | 1,2,4-TRIAZOLO(5.1A)ISOINDOZE, TRIAZOLO(5.1A) ISOQUINOLINE OR 1,2,4,-TRIAZOLO (5.1A)(2) BENZAZEPINE CONTRACEPTIVES | GRUPPO LEPETIT S.P.A. (IT) | 1981-06-23 | — | — | US | disclosed |