Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 5/20 | 0.39 |
| ▸ | NOS3 | P29474 | 4/20 | 0.39 |
| ▸ | NOS2 | P35228 | 4/20 | 0.39 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Butane SCHEMBL1421270 | 0.97 | CYP2D6 (0.46) | CYP2D6ALDH1A1CYP3A4MAPTNOS1 | |
| SCHEMBL803572 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL184285 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL17476096 | 0.79 | — | — | |
| Butane SCHEMBL10941992 | 0.78 | — | — | |
| SCHEMBL18038897 | 0.73 | — | — | |
| SCHEMBL1221412 | 0.71 | — | — | |
| SCHEMBL20865039 | 0.71 | — | — | |
| Butane SCHEMBL28199339 | 0.69 | NOS3 (0.41) | CYP2D6NOS1NOS3NOS2SPHK2 | |
| Hydrochloric Acid SCHEMBL19210226 | 0.69 | CYP2D6 (0.43) | CYP2D6ALDH1A1CYP3A4MAPTNOS1 |
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-8664380-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-03-04 | — | — | US | disclosed |
| US-20100137587-A1 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-06-03 | — | — | 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-20100137587-A1 | Heterocyclic compound and use thereof | REN, AGT, ACE | CYP2D6 51/4885ALDH1A1 156/4885CYP3A4 34/4885 |
“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.