Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.31 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL23519528 | 0.83 | — | — | |
| SCHEMBL31564495 | 0.74 | DRD2 (0.47) | — | |
| SCHEMBL21962355 | 0.73 | CYP1A2 (0.36) | ALDH1A1KDM4EMAPTCHRM3 | |
| SCHEMBL31564076 | 0.73 | MAPT (0.55) | ALDH1A1KDM4EMAPT | |
| SCHEMBL31564212 | 0.73 | MAPT (0.55) | ALDH1A1KDM4EMAPT | |
| SCHEMBL31563805 | 0.73 | MAPT (0.55) | ALDH1A1KDM4EMAPT | |
| SCHEMBL21962141 | 0.72 | CYP1A2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL31564074 | 0.72 | DRD2 (0.46) | — | |
| SCHEMBL31564615 | 0.72 | DRD2 (0.59) | CHRM3 | |
| Hydrochloric Acid SCHEMBL31564486 | 0.71 | MAPT (0.53) | ALDH1A1KDM4EMAPT |
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-10822352-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | ACHILLION PHARMACEUTICALS, INC. (US) | 2020-11-03 | — | — | US | disclosed |
| US-20190211033-A1 | ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2019-07-11 | — | — | 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 (2 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-10822352-B2 | Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders | CFD, F12, F3 | ALDH1A1 1682/4885CYP2A6 498/4885CYP2A13 74/4885 |
| US-20190211033-A1 | ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS | CFD, F12, F3 | ALDH1A1 1682/4885CYP2A6 498/4885CYP2A13 74/4885 |
“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.