Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | USP2 | O75604 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11955036 | 0.86 | CYP2D6 (0.49) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL17404868 | 0.83 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL11947826 | 0.82 | HSD17B10 (0.57) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL13131096 | 0.81 | USP2 (0.40) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL14996534 | 0.80 | CYP3A4 (0.59) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL8261413 | 0.77 | LMNA (0.52) | MEN1KMT2AHSD17B10ALDH1A1USP2 | |
| SCHEMBL11947818 | 0.76 | CYP2C9 (0.52) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL2629501 | 0.75 | USP2 (0.51) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL24827913 | 0.75 | CYP3A4 (0.36) | CYP3A4CYP2D6TSHRMEN1KMT2A | |
| SCHEMBL11947823 | 0.75 | CHRNB2 (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130231327-A1 | Substituted Spiro-Amide Compounds | GRUENENTHAL GMBH (DE) | 2013-09-05 | — | — | US | disclosed |
| US-8455475-B2 | Substituted spiro-amide compounds | GRUENENTHAL GMBH (DE) | 2013-06-04 | — | — | US | disclosed |
| US-8455475-B2 | Substituted spiro-amide compounds | GRUENENTHAL GMBH (DE) | 2013-06-04 | — | — | US | disclosed |
| US-8232288-B2 | Substituted benzimidazoles, benzothiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2012-07-31 | — | — | US | disclosed |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | GRUENENTHAL GMBH (DE) | 2011-01-13 | — | — | US | disclosed |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-30 | — | — | 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-20130231327-A1 | Substituted Spiro-Amide Compounds | BDKRB1, BDKRB2, REN | CYP3A4 3781/4885CYP2D6 1926/4885TSHR 338/4885 |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | BDKRB1, BDKRB2, BRD1 | CYP3A4 253/4885CYP2D6 1223/4885TSHR 1370/4885 |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | BDKRB1, BDKRB2, REN | CYP3A4 3781/4885CYP2D6 1926/4885TSHR 338/4885 |
“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.