Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL13242767 | 0.88 | — | — | |
| Cyclohexane SCHEMBL1243556 | 0.88 | CYP1A2 (0.46) | ALDH1A1CYP1A2LMNAUSP2TSHR | |
| SCHEMBL11032622 | 0.88 | CYP1A2 (0.46) | ALDH1A1CYP1A2LMNAUSP2TSHR | |
| Cyclohexane SCHEMBL4960596 | 0.88 | CYP1A2 (0.46) | ALDH1A1CYP1A2LMNAUSP2TSHR | |
| Cyclohexane SCHEMBL6664121 | 0.88 | CYP1A2 (0.46) | ALDH1A1CYP1A2LMNAUSP2TSHR | |
| SCHEMBL2612029 | 0.85 | ALDH1A1 (0.43) | ALDH1A1CYP1A2LMNAUSP2TSHR | |
| SCHEMBL3195737 | 0.82 | ALDH1A1 (0.63) | ALDH1A1CYP1A2LMNAUSP2TSHR | |
| SCHEMBL29137308 | 0.81 | CYP1A2 (0.32) | CYP1A2CYP2C19 | |
| SCHEMBL12173742 | 0.80 | ALDH1A1 (0.67) | ALDH1A1CYP1A2LMNAUSP2TSHR | |
| SCHEMBL14448382 | 0.80 | ALDH1A1 (0.61) | ALDH1A1CYP1A2LMNAUSP2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8841331-B2 | Inhibitors of human immunodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2014-09-23 | — | — | US | disclosed |
| US-20040248811-A1 | Compound and derivative of gabapentin | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2004-12-09 | — | — | US | disclosed |
| US-20040248811-A1 | Compound and derivative of gabapentin | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2004-12-09 | — | — | 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-20040248811-A1 | Compound and derivative of gabapentin | GABRA4, NPY4R, CNR2 | ALDH1A1 1596/4885CYP1A2 270/4885LMNA 2633/4885 |
“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.