Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 16/20 | 0.38 |
| ▸ | GSK3B | P49841 | 16/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3056545 | 0.80 | GSK3A (0.49) | GSK3AGSK3BHTR2CKMT2AHTR2A | |
| SCHEMBL19305722 | 0.69 | GSK3A (0.44) | GSK3AGSK3B | |
| SCHEMBL22324957 | 0.67 | GSK3A (0.48) | GSK3AGSK3B | |
| SCHEMBL29407494 | 0.64 | PARP1 (0.50) | GSK3AGSK3BHTR2CKMT2AHTR2A | |
| SCHEMBL19305557 | 0.64 | PARP1 (0.50) | GSK3AGSK3BHTR2CKMT2AHTR2A | |
| SCHEMBL18894613 | 0.57 | ALDH1A1 (0.50) | HTR2CHTR2A | |
| SCHEMBL22324753 | 0.56 | DRD2 (0.43) | HTR2CHTR2A | |
| SCHEMBL30801297 | 0.55 | ASIC3 (0.47) | KMT2A | |
| SCHEMBL6199001 | 0.55 | — | — | |
| SCHEMBL6204271 | 0.54 | PARP1 (0.30) | — |
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-20160355515-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER | ARQULE, INC. | 2016-12-08 | — | — | US | disclosed |
| US-9447088-B2 | Compositions and methods for treatment of cancer | ARQULE, INC. (US) | 2016-09-20 | — | — | US | disclosed |
| US-20140200199-A1 | Compositions and Methods for Treatment of Cancer | ARQULE, INC. | 2014-07-17 | — | — | US | disclosed |
| US-8754078-B2 | Compositions and methods for treatment of cancer | ARQULE, INC. (US) | 2014-06-17 | — | — | US | disclosed |
| US-20130150310-A1 | Compositions and Methods for Treatment of Cancer | ARQULE, INC. (US) | 2013-06-13 | — | — | US | disclosed |
| US-8377927-B2 | Compositions and methods for treatment of cancer | ARQULE, INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-20100221251-A1 | Compositions and Methods for Treatment of Cancer | ARQULE, INC. (US) | 2010-09-02 | — | — | US | disclosed |
| US-7713969-B2 | (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer | ARQULE, INC. (US) | 2010-05-11 | — | — | US | disclosed |
| US-20060223760-A1 | (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer | ARQULE, INC. | 2006-10-05 | — | — | 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 (5 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-20140200199-A1 | Compositions and Methods for Treatment of Cancer | MKI67, NUP205, TP53 | GSK3A 1904/4885GSK3B 1814/4885HTR2C 3384/4885 |
| US-20160355515-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF CANCER | MKI67, NUP205, TP53 | GSK3A 1904/4885GSK3B 1814/4885HTR2C 3384/4885 |
| US-20100221251-A1 | Compositions and Methods for Treatment of Cancer | PDCD5, TP53, NUP205 | GSK3A 1815/4885GSK3B 1584/4885HTR2C 2744/4885 |
| US-20130150310-A1 | Compositions and Methods for Treatment of Cancer | MKI67, NUP205, TP53 | GSK3A 1904/4885GSK3B 1814/4885HTR2C 3384/4885 |
| US-20060223760-A1 | (+)-cis-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1yl)-4(1H-indol-3-yl) pyrrolidine-2,5-dione; lung, colon, breast, pancreatic, prostate cancers, chronic myelogenous leukemia, melanoma, or ovarian cancer | MCL1, BRCA1, IDO1 | GSK3A 1819/4885GSK3B 1613/4885HTR2C 708/4885 |
“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.