Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | STK17B | O94768 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7162134 | 0.77 | MIF (0.48) | TRPA1ALDH1A1TSHRMAPK1STK17B | |
| SCHEMBL11813564 | 0.73 | ALDH1A1 (0.40) | ALDH1A1TSHRMAPK1STK17BKDM4E | |
| SCHEMBL28350913 | 0.71 | STK17B (0.54) | ALDH1A1STK17BKDM4EL3MBTL1ELANE | |
| SCHEMBL3517105 | 0.70 | KDM4E (0.47) | TRPA1ALDH1A1KDM4ERAB9AL3MBTL1 | |
| SCHEMBL6530791 | 0.69 | TRPA1 (0.81) | TRPA1ALDH1A1TSHRMAPK1KDM4E | |
| SCHEMBL7319916 | 0.69 | ALDH1A1 (0.45) | ALDH1A1TSHRSTK17BKDM4ERAB9A | |
| SCHEMBL7319921 | 0.69 | ALDH1A1 (0.45) | ALDH1A1TSHRSTK17BKDM4ERAB9A | |
| SCHEMBL2604370 | 0.67 | MAOB (0.43) | ALDH1A1TSHRMAPK1STK17BKDM4E | |
| SCHEMBL29366641 | 0.67 | MAOB (0.43) | ALDH1A1TSHRMAPK1STK17BKDM4E | |
| SCHEMBL22046452 | 0.66 | TSHR (0.44) | ALDH1A1TSHRPRKCA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130158024-A1 | TRICYCLIC NECROSTATIN COMPOUNDS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2013-06-20 | — | — | US | disclosed |
| US-8324262-B2 | Tricyclic necrostatin compounds | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-20100190836-A1 | Compounds, Screens, and Methods of Treatment | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2010-07-29 | — | — | US | disclosed |
| EP-1968583-A2 | COMPOUNDS, SCREENS, AND METHODS OF TREATMENT | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007075772-A2 | COMPOUNDS, SCREENS, AND METHODS OF TREATMENT | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2007-07-05 | — | — | 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 (2 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-20100190836-A1 | Compounds, Screens, and Methods of Treatment | NLN, HTRA2, CLN6 | TRPA1 1915/4885ALDH1A1 953/4885TSHR 3450/4885 |
| US-20130158024-A1 | TRICYCLIC NECROSTATIN COMPOUNDS | HTRA2, AIFM1, BAD | TRPA1 2844/4885ALDH1A1 4431/4885TSHR 1712/4885 |
“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.