Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | TSPO | P30536 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | CSF1R | P07333 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22336609 | 0.86 | AR (0.37) | TSPOCYP1A2CYP2A6RAPGEF4AR | |
| SCHEMBL16264001 | 0.84 | RAPGEF4 (0.41) | ACHECYP1A2CYP2A6RAPGEF4ALDH1A1 | |
| SCHEMBL22337431 | 0.81 | CSF1R (0.47) | ACHEEGFRCSF1RALDH1A1TSHR | |
| SCHEMBL22336611 | 0.80 | ALDH1A1 (0.48) | ACHECYP1A2CYP2A6HDAC6ALDH1A1 | |
| SCHEMBL15362296 | 0.77 | TSHR (0.41) | ACHEEGFRCYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL13367388 | 0.77 | TSPO (0.39) | ACHETSPOCYP1A2CYP2A6TSHR | |
| SCHEMBL13367407 | 0.76 | ACHE (0.55) | ACHEEGFRCSF1RALDH1A1TSHR | |
| SCHEMBL18719354 | 0.76 | CYP1A2 (0.40) | ACHEEGFRCYP1A2CYP2A6CA9 | |
| SCHEMBL13509012 | 0.75 | TSHR (0.42) | ACHETSPORAPGEF4ARALDH1A1 | |
| SCHEMBL26996636 | 0.74 | AR (0.38) | ACHETSPOCYP1A2CYP2A6RAPGEF4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020162600-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2020-08-13 | — | — | WO | disclosed |
| US-8212056-B2 | Ligands for transition-metals and methods of use | THE HONG KONG POLYTECHNIC UNIVERSITY (CN) | 2012-07-03 | — | — | US | disclosed |
| US-8212056-B2 | Ligands for transition-metals and methods of use | THE HONG KONG POLYTECHNIC UNIVERSITY (CN) | 2012-07-03 | — | — | US | disclosed |
| US-20090326243-A1 | Ligands for transition-metals and methods of use | THE HONG KONG POLYTECHNIC UNIVERSITY (HK) | 2009-12-31 | — | — | US | disclosed |
| US-20090326243-A1 | Ligands for transition-metals and methods of use | THE HONG KONG POLYTECHNIC UNIVERSITY (HK) | 2009-12-31 | — | — | 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-20090326243-A1 | Ligands for transition-metals and methods of use | PDK4, PDXK, PDK3 | ACHE 236/4885TSPO 884/4885EGFR 84/4885 |
“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.