Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11416817 | 0.87 | DHODH (0.50) | CYP11B2NPC1RAB9ADHODHPARP1 | |
| SCHEMBL11262382 | 0.84 | DHODH (0.55) | CYP11B2NPC1RAB9ADHODHPARP1 | |
| SCHEMBL11250627 | 0.81 | DHODH (0.45) | DHODHPARP1ADORA3ADORA1PDE10A | |
| SCHEMBL21306416 | 0.79 | PDE10A (0.48) | CYP11B2NPC1RAB9ADHODHPARP1 | |
| SCHEMBL11600859 | 0.78 | CYP1A2 (0.45) | CYP11B2NPC1RAB9AKDM4EALDH1A1 | |
| Lotrifen SCHEMBL2107797 | 0.76 | NR1H3 (0.47) | CYP11B2NPC1RAB9ADHODHPARP1 | |
| SCHEMBL11413909 | 0.76 | AHR (0.63) | NPC1RAB9ADHODHPARP1KDM4E | |
| SCHEMBL11407248 | 0.75 | CYP11B2 (0.42) | CYP11B2DHODHPARP1ABCG2KDM4E | |
| SCHEMBL11419299 | 0.75 | HSD17B2 (0.47) | NPC1RAB9ADHODHPARP1ALDH1A1 | |
| SCHEMBL11407906 | 0.75 | CYP11B2 (0.41) | CYP11B2NPC1RAB9AKDM4EALDH1A1 |
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 |