Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.73 |
| ▸ | GAA | P10253 | 4/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.73 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.46 |
| ▸ | QPCT | Q16769 | 1/20 | 0.45 |
| ▸ | TASP1 | Q9H6P5 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL2243666 | 0.81 | ALDH1A1 (0.67) | ALDH1A1GAATDP1NPC1RAB9A | |
| SCHEMBL11693290 | 0.73 | NPC1 (0.71) | ALDH1A1GAATDP1NPC1RAB9A | |
| SCHEMBL5180936 | 0.72 | ALDH1A1 (0.58) | ALDH1A1GAATDP1NPC1RAB9A | |
| SCHEMBL11695743 | 0.72 | NPC1 (0.74) | ALDH1A1GAATDP1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL11697560 | 0.71 | NPC1 (0.64) | ALDH1A1GAATDP1NPC1RAB9A | |
| SCHEMBL5181762 | 0.70 | ALDH1A1 (0.58) | ALDH1A1GAATDP1NPC1RAB9A | |
| SCHEMBL5181732 | 0.68 | ALDH1A1 (0.72) | ALDH1A1GAATDP1NPC1RAB9A | |
| SCHEMBL7194777 | 0.66 | EPHX2 (0.53) | ALDH1A1GAATDP1NPC1RAB9A | |
| SCHEMBL7193928 | 0.66 | EPHX2 (0.53) | ALDH1A1GAATDP1NPC1RAB9A | |
| SCHEMBL1238556 | 0.65 | — | — |
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-6794400-B2 | USE AS ANTICANCER AGENTS AND IN OTHER CONDITIONS INVOLVING ABNORMAL CELL PROLIFERATION SUCH AS RHEUMATOID ARTHRITIS | CYTOVIA, INC. | 2004-09-21 | — | — | US | disclosed |
| US-20030045581-A1 | 4-substituted-1- (arylmethylidene) thiosemicarbazide, 4-substituted-1- (arylcarbonyl) thiosemicarbazide and analogs as activators of caspases and inducers of apoptosis and the use thereof | DISCOVER GROWTH FUND, LLC (VI) | 2003-03-06 | — | — | 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-20030045581-A1 | 4-substituted-1- (arylmethylidene) thiosemicarbazide, 4-substituted-1- (arylcarbonyl) thiosemicarbazide and analogs as activators of caspases and inducers of apoptosis and the use thereof | CASP1, CASP3, CASP4 | ALDH1A1 204/4885GAA 2524/4885TDP1 482/4885 |
“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.