Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953631 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CES2CES1CA3CA6 | |
| SCHEMBL29956184 | 0.80 | CA3 (0.42) | ALDH1A1CES2CES1CA3CA6 | |
| SCHEMBL12138250 | 0.76 | NISCH (0.33) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL29954268 | 0.76 | DGAT1 (0.39) | ALDH1A1TDP1CYP2A6LMNAHPGD | |
| SCHEMBL29952598 | 0.76 | PKM (0.34) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL10252634 | 0.76 | ESR1 (0.41) | — | |
| SCHEMBL2628176 | 0.76 | DGAT1 (0.39) | ALDH1A1TDP1CYP2A6LMNAHPGD | |
| SCHEMBL29954160 | 0.76 | CCR2 (0.34) | ALDH1A1TDP1CYP2A6LMNAKMT2A | |
| SCHEMBL2741041 | 0.76 | ACHE (0.35) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL11862205 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CES2CES1CA3CA6 |
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-20170260204-A1 | POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | GILEAD SCIENCES, INC. | 2017-09-14 | — | — | US | disclosed |
| US-9732092-B2 | Substituted 2,3,4,5,7,9,13,13a-octahydropyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]OXAZEPINES and methods for treating viral infections | GILEAD SCIENCES, INC. (US) | 2017-08-15 | — | — | US | disclosed |
| US-9663528-B2 | Substituted 1,2,3,4,6,8,12,12a-octahydro-1,4-methanodipyrido[1,2-a:1',2'-d]pyrazines and methods for treating viral infections | GILEAD SCIENCES, INC. (US) | 2017-05-30 | — | — | US | disclosed |
| US-20170057976-A1 | POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | GILEAD SCIENCES, INC. | 2017-03-02 | — | — | US | disclosed |
| US-20160176885-A1 | SUBSTITUTED 1,2,3,4,6,8,12,12a-OCTAHYDRO-1,4-METHANODIPYRIDO[1,2-a:1',2'-d]PYRAZINES AND METHODS FOR TREATING VIRAL INFECTIONS | GILEAD SCIENCES, INC. | 2016-06-23 | — | — | US | disclosed |
| US-9216996-B2 | Substituted 2,3,4,5,7,9,13,13a-octahydropyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazepines and methods for treating viral infections | GILEAD SCIENCES, INC. (US) | 2015-12-22 | — | — | US | disclosed |
| US-20140221356-A1 | POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | GILEAD SCIENCES, INC. | 2014-08-07 | — | — | US | disclosed |
| US-20110282059-A1 | Light emitting material for use as host dopant in emissive layer for OLEDs | SOLVAY SA (BE) | 2011-11-17 | — | — | 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-20160176885-A1 | SUBSTITUTED 1,2,3,4,6,8,12,12a-OCTAHYDRO-1,4-METHANODIPYRIDO[1,2-a:1',2'-d]PYRAZINES AND METHODS FOR TREATING VIRAL INFECTIONS | PYM1, ZC3HAV1, ZYX | ALDH1A1 735/4885CES2 1689/4885CES1 1085/4885 |
| US-20110282059-A1 | Light emitting material for use as host dopant in emissive layer for OLEDs | APOL1, OPRM1, OCIAD1 | ALDH1A1 514/4885CES2 954/4885CES1 1178/4885 |
| US-20140221356-A1 | POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | ZC3HAV1, PYM1, ZC3HAV1L | ALDH1A1 3173/4885CES2 175/4885CES1 562/4885 |
| US-20170057976-A1 | POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | ZC3HAV1, PYM1, ZC3HAV1L | ALDH1A1 3173/4885CES2 175/4885CES1 562/4885 |
| US-20170260204-A1 | POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | ZC3HAV1, PYM1, ZC3HAV1L | ALDH1A1 3173/4885CES2 175/4885CES1 562/4885 |
“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.