Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.51 |
| ▸ | RAB9A | P51151 | 8/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.51 |
| ▸ | MAPT | P10636 | 8/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | DAO | P14920 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PDE7A | Q13946 | 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 | |
|---|---|---|---|---|
| SCHEMBL23691408 | 0.82 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL10564648 | 0.80 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL9756642 | 0.79 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL6639465 | 0.77 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL10562883 | 0.74 | SMN1; SMN2 (0.52) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL9656225 | 0.72 | DAO (0.55) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL6639863 | 0.72 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL9376353 | 0.72 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL21623739 | 0.72 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL9695063 | 0.71 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2MAPTKDM4E |
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-9963433-B2 | Anticancer drugs including the chemical structures of an androgen receptor ligand and a histone deacetylase inhibitor | WAYNE STATE UNIVERSITY (US) | 2018-05-08 | — | — | US | disclosed |
| US-20170217903-A1 | ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR | WAYNE STATE UNIVERSITY | 2017-08-03 | — | — | 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-20170217903-A1 | ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR | AR, HDAC1, HDAC11 | NPC1 2397/4885RAB9A 3862/4885SMN1; SMN2 4835/4885 |
“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.