Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.68 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ESRRA | P11474 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22636605 | 0.87 | EPHX2 (0.54) | EPHX2NOTUMNPC1RAB9AMEN1 | |
| SCHEMBL19521416 | 0.81 | EPHX2 (0.68) | EPHX2NOTUMNPC1RAB9AMEN1 | |
| SCHEMBL2413147 | 0.81 | EPHX2 (1.00) | EPHX2NOTUMNPC1RAB9AMEN1 | |
| SCHEMBL3107067 | 0.81 | EPHX2 (0.63) | EPHX2NOTUMNPC1RAB9AMEN1 | |
| SCHEMBL12818406 | 0.80 | NOTUM (0.44) | EPHX2NOTUMPTGS2DHFR | |
| Hydrochloric Acid SCHEMBL21492416 | 0.80 | EPHX2 (0.62) | EPHX2NOTUMNPC1RAB9AMEN1 | |
| SCHEMBL27638750 | 0.79 | NPC1 (0.50) | EPHX2NOTUMNPC1RAB9AMAPT | |
| SCHEMBL3107063 | 0.79 | EPHX2 (0.64) | EPHX2NOTUMNPC1RAB9AMEN1 | |
| SCHEMBL21849159 | 0.78 | EPHX2 (0.64) | EPHX2NOTUMNPC1RAB9AMEN1 | |
| SCHEMBL22466173 | 0.78 | EPHX2 (0.68) | EPHX2NOTUMNPC1RAB9AMEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11312722-B2 | Hsp90 inhibitors and uses thereof | TRUSTEES OF BOSTON UNIVERSITY (US) | 2022-04-26 | — | — | US | disclosed |
| US-20200354373-A1 | HSP90 INHIBITORS AND USES THEREOF | TRUSTEES OF BOSTON UNIVERSITY (US) | 2020-11-12 | — | — | US | disclosed |
| WO-2020227368-A1 | HSP90 INHIBITORS AND USES THEREOF | TRUSTEES OF BOSTON UNIVERSITY (US) | 2020-11-12 | — | — | WO | disclosed |
| EP-2753615-B1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-07-19 | — | — | EP | disclosed |
| US-8969335-B2 | Benzonitrile derivatives as kinase inhibitors | MERCK PATENT GMBH (DE) | 2015-03-03 | — | — | US | disclosed |
| US-20140228340-A1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2014-08-14 | — | — | US | disclosed |
| CN-103930416-A | Benzonitrile derivatives as kinase inhibitors | MERCK PATENT GMBH | 2014-07-16 | — | — | CN | disclosed |
| WO-2013034238-A1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2013-03-14 | — | — | 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 (3 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-20140228340-A1 | BENZONITRILE DERIVATIVES AS KINASE INHIBITORS | TBK1, NFKBIA, IKBKG | EPHX2 4114/4885NOTUM 3516/4885NPC1 2263/4885 |
| US-20200354373-A1 | HSP90 INHIBITORS AND USES THEREOF | HSP90AB1, HSP90B1, HSP90AA1 | EPHX2 3834/4885NOTUM 3093/4885NPC1 2456/4885 |
| US-11312722-B2 | Hsp90 inhibitors and uses thereof | HSP90AB1, HSP90B1, HSP90AA1 | EPHX2 3834/4885NOTUM 3093/4885NPC1 2456/4885 |
“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.