Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL15980353 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CYP2A6CYP2A13TSHRNPC1 | |
| SCHEMBL10160746 | 0.69 | TSHR (0.33) | ALDH1A1TSHRNPC1RAB9APKM | |
| SCHEMBL14930415 | 0.64 | HTT (0.32) | — | |
| SCHEMBL22905715 | 0.63 | — | — | |
| SCHEMBL79036 | 0.63 | ALDH1A1 (0.42) | ALDH1A1CYP2A6CYP2A13NPC1RAB9A | |
| SCHEMBL597666 | 0.63 | SRD5A1 (0.42) | ALDH1A1NPC1RAB9AKDM4EPKM | |
| SCHEMBL28304501 | 0.63 | DRD2 (0.37) | ALDH1A1CYP2A6CYP2A13TSHRNPC1 | |
| SCHEMBL22606409 | 0.61 | CXCR2 (0.35) | — | |
| SCHEMBL22675389 | 0.61 | CXCR2 (0.35) | — | |
| SCHEMBL19656903 | 0.61 | UGT2B17 (0.30) | — |
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-9133129-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-09-15 | — | — | US | disclosed |
| US-9133129-B2 | Bicyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-09-15 | — | — | US | disclosed |
| US-20140243310-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-08-28 | — | — | US | disclosed |
| US-20140243310-A1 | BICYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-08-28 | — | — | 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-20140243310-A1 | BICYCLIC COMPOUND | BICRA, NR3C2, CYP11B2 | ALDH1A1 450/4885CYP2A6 426/4885CYP2A13 289/4885 |
“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.