Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 13/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR1F | P30939 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30134883 | 1.00 | CYP2C19 (0.48) | CYP2C19HTR6PKML3MBTL1MET | |
| SCHEMBL16052697 | 0.89 | L3MBTL1 (0.51) | HTR6PKML3MBTL1BRD4ALDH1A1 | |
| SCHEMBL30509477 | 0.89 | L3MBTL1 (0.51) | HTR6PKML3MBTL1BRD4ALDH1A1 | |
| SCHEMBL17546350 | 0.86 | CYP2C19 (0.50) | CYP2C19HTR6L3MBTL1METBRD4 | |
| SCHEMBL19654939 | 0.85 | CYP2C19 (0.49) | CYP2C19HTR6PKMMETMEN1 | |
| SCHEMBL16041786 | 0.84 | CYP2C19 (0.48) | CYP2C19HTR6PKML3MBTL1MET | |
| SCHEMBL3723254 | 0.84 | CYP2C19 (0.48) | CYP2C19HTR6PKML3MBTL1MET | |
| SCHEMBL1469143 | 0.84 | CYP2C19 (0.48) | CYP2C19HTR6PKMMETBRD4 | |
| SCHEMBL17535066 | 0.83 | HTR6 (0.54) | CYP2C19HTR6PKML3MBTL1MET | |
| SCHEMBL3725501 | 0.83 | HTR6 (0.52) | CYP2C19HTR6PKML3MBTL1MET |
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-9249140-B2 | Bicyclic heteroaromatic compounds | MERCK PATENT GMBH (DE) | 2016-02-02 | — | — | US | disclosed |
| US-20150218155-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2015-08-06 | — | — | US | disclosed |
| US-20110201593-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2011-08-18 | — | — | US | disclosed |
| WO-2011086053-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2011-07-21 | — | — | WO | 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 (2 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-20150218155-A1 | BICYCLIC HETEROAROMATIC COMPOUNDS | CDK1, CDK2, CDK4 | CYP2C19 705/4885HTR6 2348/4885PKM 540/4885 |
| US-20110201593-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | CCNY, CCNA1, CCNA2 | CYP2C19 121/4885HTR6 3644/4885PKM 1313/4885 |
“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.