Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19805956 | 0.87 | KDM4E (0.44) | PARP1TRPA1ALDH1A1GAAHPGD | |
| SCHEMBL23519530 | 0.83 | HTR1A (0.43) | HTR1ADRD2DRD1ADRA1DHTR2A | |
| SCHEMBL3370237 | 0.79 | ESR1 (0.43) | ALDH1A1KDM4EHTR2AHTR2CLMNA | |
| SCHEMBL17195712 | 0.78 | HTR1A (0.38) | GAACYP2A6HTR1ADRD2DRD1 | |
| SCHEMBL19346233 | 0.78 | GABRA1 (0.43) | ALDH1A1HPGDKDM4ECYP1A2HTR1A | |
| SCHEMBL18657127 | 0.77 | SMN1; SMN2 (0.47) | PARP1TRPA1ALDH1A1GAAHPGD | |
| SCHEMBL13266636 | 0.75 | CA12 (0.43) | PARP1TRPA1ALDH1A1GAAHPGD | |
| SCHEMBL8201000 | 0.74 | PARP1 (0.54) | PARP1ALDH1A1GAAHPGDKDM4E | |
| SCHEMBL15624185 | 0.74 | PARP1 (0.36) | PARP1TRPA1ALDH1A1GAAHPGD | |
| SCHEMBL19300243 | 0.74 | PARP1 (0.54) | PARP1ALDH1A1GAAHPGDKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11168070-B2 | Therapeutic compounds and uses thereof | GENENTECH, INC. (US) | 2021-11-09 | — | — | US | disclosed |
| US-20200399244-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-12-24 | — | — | US | disclosed |
| EP-2970224-B1 | TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS | ONYX THERAPEUTICS INC (US) | 2017-09-06 | — | — | EP | disclosed |
| US-20100008866-A1 | CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2010-01-14 | — | — | 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 (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-20100008866-A1 | CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES | PIGS, GPR174, GPR17 | PARP1 3474/4885TRPA1 757/4885ALDH1A1 1098/4885 |
| US-20200399244-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | EP300, HDAC1, HDAC3 | PARP1 301/4885TRPA1 3160/4885ALDH1A1 2185/4885 |
| US-11168070-B2 | Therapeutic compounds and uses thereof | EP300, HDAC1, HDAC11 | PARP1 273/4885TRPA1 2938/4885ALDH1A1 2009/4885 |
“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.