Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | PNMT | P11086 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | CFD | P00746 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3775108 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL31521541 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL30818078 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL20238704 | 0.98 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL29669028 | 0.98 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL20238705 | 0.98 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL7350660 | 0.84 | PNMT (0.58) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL16356139 | 0.84 | HTR2A (0.39) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL16908267 | 0.84 | HTR2A (0.39) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL1239996 | 0.84 | HTR2A (0.39) | CYP1A2CYP3A4CYP2D6NFKB1PNMT |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |
| US-20230028114-A1 | AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-01-26 | — | — | US | disclosed |
| EP-4031552-A1 | AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES | Takeda Pharmaceutical Company Limited (JP) | 2022-07-27 | — | — | EP | disclosed |
| CN-114728975-A | Azole-fused pyridazin-3 (2H) -one derivatives | 武田药品工业株式会社 | 2022-07-08 | — | — | CN | disclosed |
| WO-2021055326-A1 | AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-03-25 | — | — | WO | disclosed |
| US-9108955-B2 | Heterocyclic inhibitors of necroptosis | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-08-18 | — | — | US | disclosed |
| US-20140128437-A1 | HETEROCYCLIC INHIBITORS OF NECROPTOSIS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-05-08 | — | — | US | disclosed |
| US-8658689-B2 | Heterocyclic inhibitors of necroptosis | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-02-25 | — | — | US | disclosed |
| US-8278344-B2 | Heterocyclic inhibitors of necroptosis | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2012-10-02 | — | — | US | disclosed |
| US-20100317701-A1 | HETEROCYCLIC INHIBITORS OF NECROPTOSIS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-12-16 | — | — | US | disclosed |
| US-20090099242-A1 | Heterocyclic inhibitors of necroptosis | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-04-16 | — | — | US | disclosed |
| EP-1931347-A2 | PIPERAZINE DERIVATIVES | M's Science Corporation (JP) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007021545-A2 | PIPERAZINE DERIVATIVES | M'S SCIENCE CORPORATION (JP) | 2007-02-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230028114-A1 | AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES | GPR139, GPR119, GPR39 | CYP1A2 979/4885CYP3A4 1477/4885CYP2D6 1394/4885 |
| US-20100317701-A1 | HETEROCYCLIC INHIBITORS OF NECROPTOSIS | TNF, RIPK1, RIPK3 | CYP1A2 4261/4885CYP3A4 3800/4885CYP2D6 3856/4885 |
| US-20090099242-A1 | Heterocyclic inhibitors of necroptosis | TNF, RIPK1, RIPK3 | CYP1A2 4261/4885CYP3A4 3800/4885CYP2D6 3856/4885 |
| US-20140128437-A1 | HETEROCYCLIC INHIBITORS OF NECROPTOSIS | TNF, RIPK1, RIPK3 | CYP1A2 4261/4885CYP3A4 3800/4885CYP2D6 3856/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.