Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9822500 | 0.77 | MAPT (0.38) | PARP1CYP19A1KDM4EPOLBMAPT | |
| SCHEMBL7970794 | 0.75 | SRD5A1 (0.63) | CYP19A1ACHENPC1RAB9AKDM4E | |
| SCHEMBL5208718 | 0.73 | ABCB1 (0.49) | CYP19A1ABCB1ACHECA1CA2 | |
| SCHEMBL9122044 | 0.72 | SRD5A1 (0.49) | CYP19A1ACHECA1CA2CA4 | |
| SCHEMBL30479656 | 0.71 | PARP1 (0.50) | PARP1HSD11B1 | |
| SCHEMBL10381392 | 0.71 | PARP1 (0.50) | PARP1HSD11B1 | |
| SCHEMBL8162968 | 0.70 | ABCB1 (0.46) | CYP19A1ABCB1ACHE | |
| SCHEMBL28817995 | 0.69 | SRD5A1 (0.53) | PARP1CYP19A1 | |
| SCHEMBL437787 | 0.69 | PARP1 (0.63) | PARP1CYP19A1ACHE | |
| SCHEMBL29688148 | 0.69 | PARP1 (0.63) | PARP1CYP19A1ACHE |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0230967-B1 | BENZAZECINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1991-10-23 | — | — | EP | disclosed |
| US-4957911-A | LEARNING ENHANCEMENT | HOFFMANN-LA ROCHE INC. (US) | 1990-09-18 | — | — | US | disclosed |
| US-4876340-A | Benzazecine derivatives for cognitive and memory functions | HOFFMANN-LA ROCHE INC. (US) | 1989-10-24 | — | — | US | disclosed |
| US-4749791-A | Benzo[f]quinoline intermediates | HOFFMANN-LA ROCHE INC. (US) | 1988-06-07 | — | — | US | disclosed |
| US-4732979-A | CEREBRAL INSUFFICIENCY | HOFFMANN-LA ROCHE INC. (US) | 1988-03-22 | — | — | US | disclosed |
| EP-0230967-A2 | Benzazecine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-08-05 | — | — | EP | disclosed |