Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4009248 | 0.72 | CDC25A (0.44) | MAPTKDM4EMEN1KMT2ANPC1 | |
| SCHEMBL19428980 | 0.65 | CYP2A6 (0.77) | CYP2A6MAPTCNR1GSTP1KDM4E | |
| SCHEMBL5887298 | 0.64 | RAD51 (0.40) | MAPT | |
| SCHEMBL10041731 | 0.64 | TDP1 (0.44) | CYP2A6MAPTTHRBCNR1GSTP1 | |
| SCHEMBL16574152 | 0.64 | CYP2A6 (0.55) | CYP2A6CNR1GSTP1MEN1KMT2A | |
| SCHEMBL27295101 | 0.64 | CYP2A6 (0.55) | CYP2A6MAPTCNR1GSTP1KDR | |
| SCHEMBL22517294 | 0.64 | CYP2A6 (0.55) | CYP2A6MAPTCNR1GSTP1KDR | |
| SCHEMBL27459545 | 0.63 | GSTP1 (0.47) | CYP2A6MAPTGSTP1KDM4ENPC1 | |
| SCHEMBL17414736 | 0.63 | BACE1 (0.59) | CYP2A6GSTP1ESR1ESR2ALOX5 | |
| SCHEMBL31690684 | 0.63 | CYP2A6 (0.65) | CYP2A6MAPTCNR1GSTP1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | disclosed |
| US-20050020565-A1 | Pyrazole compound; gastrointestinal disorders; central nervous system disorders | JONES TODD K (US) | 2005-01-27 | — | — | 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 (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-20050020565-A1 | Pyrazole compound; gastrointestinal disorders; central nervous system disorders | CCKAR, CCKBR, NPY1R | CYP2A6 561/4885MAPT 2577/4885THRB 331/4885 |
“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.