Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL40656 | 0.85 | CA2 (0.77) | CA2TDP1CA1CA12CA4 | |
| SCHEMBL2326659 | 0.84 | CA2 (0.50) | CA2TDP1CA1CYP4F2CYP4A11 | |
| SCHEMBL13658160 | 0.82 | GFER (0.47) | CA2CA1ESR1ESR2 | |
| SCHEMBL6057959 | 0.82 | CA2 (0.72) | CA2TDP1CA1CA12CA4 | |
| Methane SCHEMBL17138226 | 0.79 | GFER (0.45) | CA2CA1ESR1ESR2 | |
| SCHEMBL97582 | 0.78 | CA1 (0.52) | CA2TDP1CA1TSHRALDH1A1 | |
| SCHEMBL77492 | 0.78 | CA2 (0.59) | CA2TDP1CA1CA12CA4 | |
| SCHEMBL40703 | 0.77 | CA2 (0.65) | CA2TDP1CA1CA12CA4 | |
| SCHEMBL2044945 | 0.77 | CA2 (0.65) | CA2TDP1CA1CA12CA4 | |
| SCHEMBL8752401 | 0.77 | TSHR (0.50) | CA2CA1CA12CA4CA6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4482832-A1 | 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS | Les Laboratoires Servier (FR) | 2025-01-01 | — | — | EP | disclosed |
| CN-119053587-A | 5- [7- (3, 4-Dihydro-1H-isoquinoline-2-carbonyl) -1,2,3,4 tetrahydroisoquinolin-6-yl ] -1H-pyrrole-3-carboxamide derivatives, pharmaceutical compositions containing same and use thereof as pro-apoptotic agents | 法国施维雅药厂 | 2024-11-29 | — | — | CN | disclosed |
| CN-117843536-A | Preparation method of diphenyl sulfone derivative | 中国科学院大连化学物理研究所 | 2024-04-09 | — | — | CN | disclosed |
| WO-2023161317-A1 | 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS | LES LABORATOIRES SERVIER (FR) | 2023-08-31 | — | — | WO | disclosed |
| CN-103833744-B | 1 ethyl pyrazolyl acrylonitrile compound and application thereof | 沈阳中化农药化工研发有限公司 | 2016-12-21 | — | — | CN | disclosed |
| CN-103833668-B | O-trifluoromethyl phenylpropen nitrile compounds and application thereof | 沈阳中化农药化工研发有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-1145609-C | Piperazine compounds and medical use thereof | ������ҩ��ʽ���� | 2004-04-14 | — | — | CN | disclosed |
| CN-1281438-A | Piperazine compounds and their use as pharmaceuticals | EFUKU CO LTD (JP) | 2001-01-24 | — | — | CN | disclosed |
| US-6041157-A | Environmentally sensitive compositions of matter based on 3H-fluoren-3-ylidenes and process for making same | GOETZ FREDERICK JAMES (US) | 2000-03-21 | — | — | US | disclosed |