Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.43 |
| ▸ | TLR4 | O00206 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16143752 | 0.94 | ALDH1A1 (0.51) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL13476222 | 0.92 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRHPGDPOLB | |
| Hydrochloric Acid SCHEMBL514641 | 0.89 | ALDH1A1 (0.53) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL8917747 | 0.88 | ALDH1A1 (0.55) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL27236467 | 0.86 | ALDH1A1 (0.53) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL9474904 | 0.85 | ALDH1A1 (0.60) | ALDH1A1TDP1TSHRHPGDPOLB | |
| Hydrochloric Acid SCHEMBL514640 | 0.85 | KAT2B (0.57) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL13476249 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL837892 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TDP1TSHRHPGDPOLB | |
| SCHEMBL8973566 | 0.84 | NPC1 (0.56) | ALDH1A1TDP1TSHRPOLBNPC1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117645562-A | Ligand for copper catalytic coupling reaction and application thereof | 江西德璟生物科技有限公司 | 2024-03-05 | — | — | CN | disclosed |
| EP-3081214-A2 | INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2016-10-19 | — | — | EP | disclosed |
| EP-2384753-B1 | Hydantoin derivatives as inhibitors of cellular necrosis | BRIGHAM & WOMENS HOSPITAL (US) | 2016-01-06 | — | — | EP | disclosed |
| US-8741942-B2 | Inhibitors of cellular necrosis | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-06-03 | — | — | US | disclosed |
| US-20120149702-A1 | INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-8143300-B2 | Inhibitors of cellular necrosis | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-03-27 | — | — | US | disclosed |
| EP-2384753-A1 | Hydantoin derivatives as inhibitors of cellular necrosis | The Brigham and Women's Hospital, Inc. (US) | 2011-11-09 | — | — | EP | disclosed |
| US-20110144169-A1 | Inhibitors of cellular necrosis | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-06-16 | — | — | US | disclosed |
| US-7592332-B2 | Cytokine inhibitors | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-7491743-B2 | Inhibitors of cellular necrosis | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2009-02-17 | — | — | US | disclosed |
| US-20090023701-A1 | Cytokine Inhibitors | AUNGST RONALD A | 2009-01-22 | — | — | US | disclosed |
| EP-1867646-A1 | Cytokine inhibitors | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2007-12-19 | — | — | EP | disclosed |
| US-20070275946-A1 | Cytokine Inhibitors | AUNGST RONALD A | 2007-11-29 | — | — | US | disclosed |
| US-7285545-B2 | N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-10-23 | — | — | US | 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-20090023701-A1 | Cytokine Inhibitors | IL1B, TNF, IL1A | ALDH1A1 297/4885TDP1 4566/4885TSHR 3979/4885 |
| US-20110144169-A1 | Inhibitors of cellular necrosis | TNF, AIFM1, BAD | ALDH1A1 2543/4885TDP1 392/4885TSHR 3079/4885 |
| US-20070275946-A1 | Cytokine Inhibitors | IL1B, TNF, IL1A | ALDH1A1 297/4885TDP1 4566/4885TSHR 3979/4885 |
| US-20120149702-A1 | INHIBITORS OF CELLULAR NECROSIS | TNF, AIFM1, BAD | ALDH1A1 2543/4885TDP1 392/4885TSHR 3079/4885 |
“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.