Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 8/20 | 0.77 |
| ▸ | HTR3A | P46098 | 7/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.48 |
| ▸ | HTR3B | O95264 | 3/20 | 0.48 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.48 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | HTR1A | P08908 | 5/20 | 0.46 |
| ▸ | HTR1D | P28221 | 2/20 | 0.46 |
| ▸ | HTR1B | P28222 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.46 |
| ▸ | HTR5A | P47898 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.44 |
| ▸ | ESRRB | O95718 | 2/20 | 0.43 |
| ▸ | ESRRG | P62508 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9881493 | 0.88 | ADRB1 (0.60) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL81940 | 0.87 | ADRB1 (1.00) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL6645952 | 0.87 | ADRB1 (1.00) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Hydrochloric Acid SCHEMBL314404 | 0.85 | ADRB1 (0.96) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Hydrochloric Acid SCHEMBL3719334 | 0.85 | ADRB1 (0.96) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Water SCHEMBL27430691 | 0.83 | ADRB1 (0.92) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Dimethylamine SCHEMBL28750709 | 0.82 | ADRB1 (0.88) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL82301 | 0.80 | ADRB1 (0.85) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL5547864 | 0.79 | MAOB (0.49) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL7729843 | 0.79 | ADRB1 (0.52) | ADRB1HTR3AHTR3EHTR3BHTR3D |
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-RE45173-E1 | Inhibitors of CYP 17 | NOVARTIS AG (CH) | 2014-09-30 | — | — | US | disclosed |
| US-8263635-B2 | Inhibitors of CYP 17 | NOVARTIS AG (CH) | 2012-09-11 | — | — | US | disclosed |
| CN-101665567-B | Method for controllable ring-opening polymerization of cyclic compound catalyzed by carbene derivative | NANJING UNIVERSITY OF TECHNOLOGY | 2011-11-23 | — | — | CN | disclosed |
| US-20100331326-A1 | Inhibitors of CYP 17 | NOVARTIS AG | 2010-12-30 | — | — | US | disclosed |
| CN-101665567-A | Method for controllable ring-opening polymerization of cyclic compound catalyzed by carbene derivative | NANJING UNIVERSITY OF TECHNOLOGY | 2010-03-10 | — | — | CN | disclosed |
| EP-0279681-A2 | Saturated heterocyclic carboxamide derivatives | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1988-08-24 | — | — | EP | 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 (1 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-20100331326-A1 | Inhibitors of CYP 17 | CYP17A1, CYP21A2, CYP4A22 | ADRB1 1296/4885HTR3A 710/4885HTR3E 811/4885 |
“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.