Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | BRD1 | O95696 | 1/20 | 0.33 |
| ▸ | TAF1 | P21675 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10104338 | 0.79 | — | — | |
| SCHEMBL10104324 | 0.73 | NOS1 (0.40) | HRH3SIGMAR1SLC6A3SLC6A4DRD2 | |
| SCHEMBL10104373 | 0.73 | HRH3 (0.40) | HRH3SIGMAR1SLC6A3SLC6A4DRD2 | |
| SCHEMBL10104409 | 0.72 | MEN1 (0.38) | HRH3TP53TSHR | |
| SCHEMBL10104479 | 0.72 | KDM4E (0.43) | SIGMAR1CYP2D6 | |
| SCHEMBL10104402 | 0.71 | HTR2A (0.33) | — | |
| SCHEMBL10104408 | 0.70 | NOS3 (0.42) | TSHR | |
| SCHEMBL10104398 | 0.68 | NOS3 (0.38) | CYP2D6 | |
| SCHEMBL10104348 | 0.68 | SLC6A3 (0.51) | HRH3SIGMAR1SLC6A3SLC6A4DRD2 | |
| SCHEMBL12784873 | 0.67 | ADRB2 (0.45) | HRH3SIGMAR1TP53CYP1A2CYP2D6 |
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-8889665-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-18 | — | — | US | disclosed |
| US-8778929-B2 | Substituted heteroaryl inhibitors of B-RAF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-15 | — | — | US | disclosed |
| US-8653087-B2 | Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-18 | — | — | US | disclosed |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-19 | — | — | US | disclosed |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-12-22 | — | — | US | disclosed |
| US-20110183952-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-28 | — | — | 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-20110183952-A1 | NEW CHEMICAL COMPOUNDS | MKI67, CCNA1, CCNT1 | HRH3 1555/4885SIGMAR1 693/4885SLC6A3 2686/4885 |
| US-20110312939-A1 | NEW CHEMICAL COMPOUNDS | CCNA1, CCNT1, MKI67 | HRH3 521/4885SIGMAR1 575/4885SLC6A3 2508/4885 |
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | CCNT1, CCNA1, CCND1 | HRH3 1065/4885SIGMAR1 1988/4885SLC6A3 3013/4885 |
“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.