Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.48 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.48 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.48 |
| ▸ | CD74 | P04233 | 1/20 | 0.48 |
| ▸ | MIF | P14174 | 1/20 | 0.48 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 2/20 | 0.45 |
| ▸ | RXRB | P28702 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12267358 | 0.88 | CYP2A6 (0.50) | CYP2A6TRPV1MEN1KMT2A | |
| SCHEMBL31176253 | 0.86 | MAP2K4 (0.54) | CYP2A6TRPV1MAP2K4 | |
| SCHEMBL13562431 | 0.83 | KMO (0.49) | KMONR1H4MAPK1MAP2K4MAPKAPK3 | |
| SCHEMBL15151310 | 0.82 | CYP2A6 (0.45) | CYP2A6TRPV1 | |
| SCHEMBL3554044 | 0.82 | TRPV1 (0.61) | CYP2A6TRPV1MAPK1MAP2K4MAPKAPK3 | |
| SCHEMBL16237821 | 0.81 | TP53 (0.49) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15238292 | 0.81 | KDM4C (0.59) | KMO | |
| Hydrochloric Acid SCHEMBL3086577 | 0.81 | TRPV1 (0.59) | CYP2A6TRPV1MAPK1MAP2K4MAPKAPK3 | |
| SCHEMBL725346 | 0.80 | TRPV1 (0.46) | CYP2A6TRPV1 | |
| SCHEMBL27806372 | 0.79 | ALDH1A1 (0.50) | CYP2A6TRPV1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20160024083-A1 | COMPOUNDS AND METHODS FOR TREATING CANCERS | HEALTH RESEARCH, INC. (US) | 2016-01-28 | — | — | US | disclosed |
| CN-102933206-A | Solid forms of 3- (6- (1- (2, 2-difluorobenzo [ d ] [1,3] dioxol-5-yl) cyclopropanecarboxamido) -3-methylpyridin-2-yl) benzoic acid | VERTEX PHARMA | 2013-02-13 | — | — | CN | disclosed |
| CN-102917692-A | Pharmaceutical compositions of 3- (6- (1- (2, 2-difluorobenzo [ D ] [1,3] dioxol-5-yl) cyclopropanecarboxamido) -3-methylpyridin-2-yl) benzoic acid and methods of administration thereof | VERTEX PHARMA | 2013-02-06 | — | — | CN | disclosed |
| CN-102665715-A | Compositions for treatment of cystic fibrosis and other chronic diseases | VERTEX PHARMA | 2012-09-12 | — | — | CN | disclosed |
| US-8012999-B2 | Modulators of CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-06 | — | — | US | disclosed |
| US-20100227888-A1 | MODULATORS OF CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-09-09 | — | — | US | disclosed |
| US-7754739-B2 | Modulators of CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-13 | — | — | US | disclosed |
| US-20090176839-A1 | FORMULATIONS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID | VERTEX PHARMACEUTICALS INCORPORATED | 2009-07-09 | — | — | US | disclosed |
| US-20080286204-A1 | MODULATORS OF CFTR | VERTEX PHARMACEUTICALS INCORPORATED | 2008-11-20 | — | — | 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-20100227888-A1 | MODULATORS OF CFTR | CFTR, ABCB1, ABCC4 | KMO 4738/4885CYP2A6 1759/4885NR1H4 84/4885 |
| US-20080286204-A1 | MODULATORS OF CFTR | CFTR, ABCB1, ABCC4 | KMO 4706/4885CYP2A6 1386/4885NR1H4 101/4885 |
| US-20160024083-A1 | COMPOUNDS AND METHODS FOR TREATING CANCERS | AR, KLK3, BRDT | KMO 376/4885CYP2A6 793/4885NR1H4 520/4885 |
| US-20090176839-A1 | FORMULATIONS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID | DDC, P2RX6, CTSC | KMO 532/4885CYP2A6 107/4885NR1H4 2433/4885 |
“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.