Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL13202683 | 1.00 | CYP1A2 (0.53) | CYP1A2ALDH1A1CHRNB4CHRNA3SLC22A1 | |
| Iodide SCHEMBL29696253 | 0.98 | CYP1A2 (0.52) | CYP1A2ALDH1A1CHRNB4CHRNA3SLC22A1 | |
| SCHEMBL21741553 | 0.96 | CYP1A2 (0.60) | CYP1A2ALDH1A1CHRNB4CHRNA3ADRA2A | |
| SCHEMBL21741551 | 0.96 | CYP1A2 (0.60) | CYP1A2ALDH1A1CHRNB4CHRNA3ADRA2A | |
| SCHEMBL30348383 | 0.96 | CYP1A2 (0.60) | CYP1A2ALDH1A1CHRNB4CHRNA3ADRA2A | |
| SCHEMBL24428778 | 0.90 | CYP1A2 (0.48) | CYP1A2ALDH1A1CHRNB4CHRNA3SLC22A1 | |
| SCHEMBL20028809 | 0.90 | CYP1A2 (0.48) | CYP1A2ALDH1A1CHRNB4CHRNA3SLC22A1 | |
| SCHEMBL19476524 | 0.90 | CYP1A2 (0.48) | CYP1A2ALDH1A1CHRNB4CHRNA3SLC22A1 | |
| SCHEMBL23868201 | 0.88 | — | — | |
| SCHEMBL88569 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020035031-A1 | FUSED RING COMPOUNDS | GENENTECH, INC. (US) | 2020-02-20 | — | — | WO | disclosed |
| US-10253018-B2 | Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2019-04-09 | — | — | 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-10253018-B2 | Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof | BAD, CASP1, BAX | CYP1A2 3076/4885ALDH1A1 1882/4885CHRNB4 4482/4885 |
“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.