Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MYOC | Q99972 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10840699 | 0.83 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL6972654 | 0.77 | LMNA (0.44) | HSPB1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL7867611 | 0.76 | IDO1 (0.50) | MEN1KMT2ALMNAMAPTRAB9A | |
| SCHEMBL457863 | 0.76 | HSPB1 (0.68) | HSPB1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL8535180 | 0.76 | LTA4H (0.52) | MEN1KMT2ARAB9ANPC1SRD5A2 | |
| SCHEMBL6186803 | 0.76 | GPR35 (0.44) | ALDH1A1MEN1KMT2ALMNAHTT | |
| SCHEMBL76698 | 0.76 | LTA4H (0.50) | KMT2ALMNAMAPTKDM4ECA1 | |
| 4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 | 0.75 | HSPB1 (0.79) | HSPB1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL11689190 | 0.75 | HSPB1 (0.79) | HSPB1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL9183872 | 0.75 | HSPB1 (0.79) | HSPB1ALDH1A1MEN1KMT2ALMNA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | claimed |
| US-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | VTVX HOLDINGS I LLC | 2005-03-17 | — | — | US | claimed |
| WO-2005014534-A1 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | claimed |
| WO-2004017966-A1 | FIVE-MEMBERED HETEROCYCLIC COMPOUNDS IN THE TREATMENT OF CHRONIC AND ACUTE PAIN | IONIX PHARMACEUTICALS LIMITED (GB) | 2004-03-04 | — | — | WO | claimed |
| EP-0058373-A1 | Substituted aliphatic secondary amines and their salts, pharmaceutical compositions containing them and their use | CIBA-GEIGY AG (CH) | 1982-08-25 | — | — | EP | claimed |
| CN-103788008-A | Preparation method of diamine compound containing thiazole ring | LANZHOU CHEM PHYS INST | 2014-05-14 | — | — | CN | disclosed |
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | VTVX HOLDINGS I LLC | 2005-03-17 | — | — | US | disclosed |
| WO-2005014534-A1 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | disclosed |
| WO-2004017966-A1 | FIVE-MEMBERED HETEROCYCLIC COMPOUNDS IN THE TREATMENT OF CHRONIC AND ACUTE PAIN | IONIX PHARMACEUTICALS LIMITED (GB) | 2004-03-04 | — | — | WO | disclosed |
| US-4448776-A | Method of using certain substituted aliphatic secondary amines or their salts for easing breathing | BUCHER KARL (CH) | 1984-05-15 | — | — | US | disclosed |
| EP-0058373-A1 | Substituted aliphatic secondary amines and their salts, pharmaceutical compositions containing them and their use | CIBA-GEIGY AG (CH) | 1982-08-25 | — | — | EP | 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 (1 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-20050059713-A1 | Aryl and heteroaryl compounds, compositions, and methods of use | CYP2F1, CYP3A43, PNPO | HSPB1 4553/4885ALDH1A1 711/4885MEN1 3682/4885 |
“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.