Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.52 |
| ▸ | USP2 | O75604 | 8/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2629501 | 0.92 | USP2 (0.51) | CYP3A4CYP2C19USP2CYP1A2ALDH1A1 | |
| SCHEMBL2629499 | 0.92 | GRIN2D (0.53) | CYP3A4CYP2C19USP2CYP1A2ALDH1A1 | |
| SCHEMBL2629498 | 0.85 | USP2 (0.59) | CYP3A4CYP2C19USP2CYP1A2ALDH1A1 | |
| SCHEMBL11947838 | 0.84 | CYP3A4 (0.54) | CYP3A4CYP2C19CYP1A2ALDH1A1HIF1A | |
| SCHEMBL11947821 | 0.79 | HTR3E (0.42) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL11947816 | 0.78 | CYP3A4 (0.61) | CYP3A4CYP2C19USP2CYP1A2ALDH1A1 | |
| SCHEMBL11947832 | 0.78 | CYP2C9 (0.59) | CYP3A4CYP2C19USP2CYP1A2ALDH1A1 | |
| SCHEMBL16117658 | 0.76 | GRIN2D (0.39) | GRIN2DGRIN3BCHRM2CHRM1OPRM1 | |
| SCHEMBL11947827 | 0.76 | ALDH1A1 (0.42) | ALDH1A1MAPK1TSHRSMN1; SMN2 | |
| SCHEMBL11947818 | 0.76 | CYP2C9 (0.52) | CYP3A4CYP2C19CYP1A2ALDH1A1HIF1A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8492559-B2 | Substituted indole compounds | GRUENENTHAL GMBH (DE) | 2013-07-23 | — | — | US | disclosed |
| US-8357717-B2 | Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity | GRUENENTHAL GMBH (DE) | 2013-01-22 | — | — | US | disclosed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| US-8232288-B2 | Substituted benzimidazoles, benzothiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2012-07-31 | — | — | US | disclosed |
| US-8158628-B2 | Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals | GRUENENTHAL GMBH (DE) | 2012-04-17 | — | — | US | disclosed |
| US-8119805-B2 | Substituted disulfonamide compounds | GRUENENTHAL GMBH (DE) | 2012-02-21 | — | — | US | disclosed |
| US-20100234340-A1 | Substituted Spiroamide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-16 | — | — | US | disclosed |
| US-20100234387-A1 | Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals | GRUENETHAL GMBH (DE) | 2010-09-16 | — | — | US | disclosed |
| US-20100222324-A1 | Substituted Indole Compounds | GRUENENTHAL GMBH (DE) | 2010-09-02 | — | — | US | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | disclosed |
| US-20100152158-A1 | Substituted Disulfonamide Compounds | GRUENENTHAL GMBH (DE) | 2010-06-17 | — | — | 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-20100152158-A1 | Substituted Disulfonamide Compounds | BDKRB1, BDKRB2, BRS3 | CYP3A4 2223/4885CYP2C19 1263/4885USP2 3131/4885 |
| US-20100222324-A1 | Substituted Indole Compounds | BDKRB1, BDKRB2, EDNRB | CYP3A4 1993/4885CYP2C19 783/4885USP2 4568/4885 |
| US-20100234387-A1 | Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals | BDKRB1, BDKRB2, KCNB1 | CYP3A4 984/4885CYP2C19 380/4885USP2 4083/4885 |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | ADORA2B, CCNB1, TYMS | CYP3A4 1682/4885CYP2C19 509/4885USP2 4431/4885 |
| US-20100234340-A1 | Substituted Spiroamide Compounds | BDKRB1, BDKRB2, AVPR1B | CYP3A4 1215/4885CYP2C19 645/4885USP2 4772/4885 |
“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.