Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RGS12 | O14924 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17636319 | 0.88 | ALDH1A1 (0.61) | ALDH1A1KMT2AMEN1HPGDTDP1 | |
| SCHEMBL17622903 | 0.85 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1HPGDTDP1 | |
| SCHEMBL17622777 | 0.82 | TDP1 (0.63) | ALDH1A1KMT2AMEN1HPGDTDP1 | |
| SCHEMBL17622906 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1HPGDTDP1 | |
| SCHEMBL17622466 | 0.77 | KMT2A (0.80) | ALDH1A1KMT2AMEN1HPGDTDP1 | |
| SCHEMBL16264703 | 0.75 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1HPGDTDP1 | |
| SCHEMBL17622907 | 0.74 | TDP1 (0.65) | ALDH1A1KMT2AMEN1HPGDTDP1 | |
| SCHEMBL17622804 | 0.73 | TDP1 (0.67) | ALDH1A1KMT2AMEN1HPGDTDP1 | |
| SCHEMBL17622908 | 0.73 | TDP1 (0.61) | ALDH1A1KMT2AMEN1HPGDTDP1 | |
| SCHEMBL17622467 | 0.73 | TP53 (0.58) | ALDH1A1KMT2AMEN1HPGDTDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160083347-A1 | MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF | INSTITUTE OF MICROBIOLOGY AND EPIDEMIOLOGY, ACADEMY OF MILITARY MEDICAL SCIENCES, PR CHINA (CN) | 2016-03-24 | — | — | 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-20160083347-A1 | MERCAPTONICOTINIC ACID COMPOUND AND PREPARATION METHOD AND USE THEREOF | PREP, ENGASE, ADAMTS13 | ALDH1A1 1549/4885KMT2A 3401/4885MEN1 621/4885 |
“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.