Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7856090 | 0.91 | ALDH1A1 (0.37) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| SCHEMBL31712991 | 0.89 | HSD17B10 (0.38) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| SCHEMBL1159909 | 0.84 | HSD17B10 (0.44) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| SCHEMBL582334 | 0.82 | NOTUM (0.46) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL8013061 | 0.81 | NOTUM (0.44) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| Bromide SCHEMBL5406141 | 0.81 | NOTUM (0.44) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| Bromide SCHEMBL8014734 | 0.81 | NOTUM (0.44) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL5396075 | 0.81 | NOTUM (0.44) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| Iodide SCHEMBL5402073 | 0.81 | NOTUM (0.44) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 | |
| SCHEMBL31712962 | 0.77 | HSD17B10 (0.41) | HSD17B10ALDH1A1CYP2A6TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9186349-B2 | Diaza heterocyclic compounds for phototherapy | MALLINCKRODT LLC (US) | 2015-11-17 | — | — | US | disclosed |
| US-9186349-B2 | Diaza heterocyclic compounds for phototherapy | MALLINCKRODT LLC (US) | 2015-11-17 | — | — | US | disclosed |
| US-20120058954-A1 | Diaza Heterocyclic Compounds for Phototherapy | OCERA THERAPEUTICS LLC | 2012-03-08 | — | — | US | disclosed |
| US-20120058954-A1 | Diaza Heterocyclic Compounds for Phototherapy | OCERA THERAPEUTICS LLC | 2012-03-08 | — | — | US | disclosed |
| WO-2010132554-A2 | DIAZA HETEROCYCLIC COMPOUNDS FOR PHOTOTHERAPY | MALLINCKRODT INC. (US) | 2010-11-18 | — | — | WO | 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-20120058954-A1 | Diaza Heterocyclic Compounds for Phototherapy | BAD, BID, CASP3 | HSD17B10 3325/4885ALDH1A1 544/4885CYP2A6 1928/4885 |
“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.