Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.60 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | SPR | P35270 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | GSTA1 | P08263 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL26440502 | 0.90 | CYP3A4 (0.68) | CYP3A4KMT2ACYP2C9ALDH1A1HPGD | |
| SCHEMBL1758307 | 0.90 | KMT2A (0.78) | CYP3A4KMT2ACYP2C9ALDH1A1HPGD | |
| SCHEMBL3358950 | 0.86 | SPR (0.56) | CYP3A4KMT2ACYP2C9ALDH1A1HPGD | |
| SCHEMBL301928 | 0.84 | LIG1 (0.55) | CYP3A4KMT2ACYP2C9ALDH1A1HPGD | |
| SCHEMBL30740067 | 0.84 | LIG1 (0.55) | CYP3A4KMT2ACYP2C9ALDH1A1HPGD | |
| Hydroxytoluic Acid SCHEMBL8428999 | 0.83 | ALDH1A1 (0.81) | CYP3A4KMT2ACYP2C9ALDH1A1HPGD | |
| SCHEMBL21812540 | 0.83 | CYP3A4 (1.00) | CYP3A4KMT2ACYP2C9ALDH1A1HPGD | |
| 2,2'-Dihydroxybenzphenone SCHEMBL18422 | 0.81 | HPGD (0.67) | CYP3A4KMT2AALDH1A1HPGDKDM4E | |
| 2,2'-Dihydroxybenzphenone SCHEMBL29572496 | 0.81 | HPGD (0.67) | CYP3A4KMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL26441772 | 0.81 | KMT2A (0.56) | CYP3A4KMT2ACYP2C9ALDH1A1HPGD |
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-9851314-B2 | Chiral metal complex and use thereof for analyzing chirality of charged compound by 1H NMR spectroscopy | KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2017-12-26 | — | — | US | disclosed |
| US-20170052131-A1 | NOVEL CHIRAL METAL COMPLEX AND USE THEREOF FOR ANALYZING CHIRALITY OF CHARGED COMPOUND BY 1H NMR SPECTROSCOPY | KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2017-02-23 | — | — | 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-20170052131-A1 | NOVEL CHIRAL METAL COMPLEX AND USE THEREOF FOR ANALYZING CHIRALITY OF CHARGED COMPOUND BY 1H NMR SPECTROSCOPY | CROCC, COIL, NCAPD2 | CYP3A4 3410/4885KMT2A 2292/4885CYP2C9 3667/4885 |
“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.