Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 12/20 | 0.83 |
| ▸ | CYP1B1 | Q16678 | 12/20 | 0.83 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.83 |
| ▸ | PDE5A | O76074 | 5/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.76 |
| ▸ | NPC1 | O15118 | 2/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.76 |
| ▸ | TP53 | P04637 | 2/20 | 0.76 |
| ▸ | POLB | P06746 | 2/20 | 0.76 |
| ▸ | RAB9A | P51151 | 2/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.76 |
| ▸ | LMNA | P02545 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | PKM | P14618 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.76 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.76 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.76 |
| ▸ | THPO | P40225 | 1/20 | 0.76 |
| ▸ | MTOR | P42345 | 1/20 | 0.76 |
| ▸ | BLM | P54132 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL14297679 | 0.89 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2PDE5AKDM4E | |
| SCHEMBL11047610 | 0.87 | CYP1A1 (0.78) | CYP1A1CYP1B1CYP1A2PDE5AKDM4E | |
| Rutaecarpine SCHEMBL288507 | 0.87 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2PDE5AKDM4E | |
| Rutaecarpine SCHEMBL29693598 | 0.87 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2PDE5AKDM4E | |
| Rutaecarpine SCHEMBL29406533 | 0.87 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2PDE5AKDM4E | |
| SCHEMBL11050683 | 0.86 | CYP1A1 (0.76) | CYP1A1CYP1B1CYP1A2PDE5AKDM4E | |
| SCHEMBL11047724 | 0.86 | CYP1A1 (0.83) | CYP1A1CYP1B1CYP1A2PDE5AKDM4E | |
| SCHEMBL24754023 | 0.84 | CYP1A1 (0.67) | CYP1A1CYP1B1CYP1A2PDE5AKDM4E | |
| SCHEMBL30168323 | 0.84 | CYP1A1 (0.67) | CYP1A1CYP1B1CYP1A2PDE5AKDM4E | |
| SCHEMBL31402832 | 0.84 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2PDE5AKDM4E |
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-4472399-A | Indolo[2',3';3,4]pyrido[2,1-b]quinazoline-5-ones, a process for the preparation thereof, and diuretic compositions and methods using them | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1984-09-18 | — | — | US | claimed |
| US-4472399-A | Indolo[2',3';3,4]pyrido[2,1-b]quinazoline-5-ones, a process for the preparation thereof, and diuretic compositions and methods using them | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1984-09-18 | — | — | US | disclosed |