Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | PDE8B | O95263 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29167134 | 0.73 | HTR6 (0.64) | ADORA1ADORA3HTR6PIK3CDPIK3CB | |
| SCHEMBL31745005 | 0.71 | ADORA1 (0.54) | ADORA1ADORA3HTR6PIK3CDPIK3CB | |
| SCHEMBL12368265 | 0.70 | HEXA (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9DHFR | |
| SCHEMBL30647945 | 0.69 | ADORA3 (0.52) | ADORA1ADORA3HTR6PIK3CDPIK3CB | |
| SCHEMBL20508772 | 0.68 | ADORA1 (0.45) | ADORA1ADORA3HTR6PIK3CDPIK3CB | |
| SCHEMBL11848838 | 0.67 | PIK3CD (0.48) | ADORA1ADORA3HTR6PIK3CDPIK3CB | |
| Hydrochloric Acid SCHEMBL30297983 | 0.67 | ADORA1 (0.44) | ADORA1ADORA3HTR6PIK3CDPIK3CB | |
| SCHEMBL1903676 | 0.66 | KDM4E (0.52) | ADORA1ADORA3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL605971 | 0.66 | TAAR1 (0.49) | ADORA1ADORA3CYP2D6HTR6PIK3CD | |
| SCHEMBL2117735 | 0.65 | CYP2C9 (0.45) | ADORA1ADORA3CYP2C9CYP2C19HTR6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180148401-A1 | Compounds and Methods of Use Thereof for Treating Tumors | GEORGETOWN UNIVERSITY | 2018-05-31 | — | — | US | disclosed |
| US-20180148401-A1 | Compounds and Methods of Use Thereof for Treating Tumors | GEORGETOWN UNIVERSITY | 2018-05-31 | — | — | US | disclosed |
| US-9695108-B2 | Compounds and methods of use thereof for treating tumors | GEORGETOWN UNIVERSITY (US) | 2017-07-04 | — | — | US | disclosed |
| US-9695108-B2 | Compounds and methods of use thereof for treating tumors | GEORGETOWN UNIVERSITY (US) | 2017-07-04 | — | — | US | disclosed |
| US-20150344440-A1 | Compounds and Methods of Use Thereof for Treating Tumors | GEORGETOWN UNIVERSITY | 2015-12-03 | — | — | US | disclosed |
| US-20150344440-A1 | Compounds and Methods of Use Thereof for Treating Tumors | GEORGETOWN UNIVERSITY | 2015-12-03 | — | — | US | disclosed |
| WO-2014032019-A2 | COMPOUNDS AND METHODS OF USE THEREOF FOR TREATING TUMORS | GEORGETOWN UNIVERSITY (US) | 2014-02-27 | — | — | 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-20150344440-A1 | Compounds and Methods of Use Thereof for Treating Tumors | VHL, TP53, RHOA | ADORA1 2560/4885ADORA3 1944/4885CYP1A2 4173/4885 |
| US-20180148401-A1 | Compounds and Methods of Use Thereof for Treating Tumors | VHL, TP53, RHOA | ADORA1 2560/4885ADORA3 1944/4885CYP1A2 4173/4885 |
“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.