Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ACVR2A | P27037 | 1/20 | 0.33 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3078494 | 0.86 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1LMNATP53 | |
| SCHEMBL3090388 | 0.85 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1LMNATP53 | |
| SCHEMBL3078955 | 0.83 | ALDH1A1 (0.45) | ALDH1A1KMT2AMEN1LMNATP53 | |
| SCHEMBL3091450 | 0.78 | KDR (0.38) | KMT2AMEN1GAAKDRNTRK1 | |
| SCHEMBL3083625 | 0.77 | KDR (0.45) | KDRNTRK1ACVR2ATGFBR2AURKA | |
| SCHEMBL3083115 | 0.76 | KDR (0.36) | KDRNTRK1ACVR2ATGFBR2AURKA | |
| SCHEMBL3095050 | 0.75 | KDR (0.42) | KDRNTRK1ACVR2ATGFBR2AURKA | |
| SCHEMBL3084570 | 0.74 | ALDH1A1 (0.48) | ALDH1A1KMT2AMEN1TP53KDR | |
| SCHEMBL3081435 | 0.74 | KDR (0.46) | ALDH1A1KMT2AMEN1TP53GAA | |
| SCHEMBL3077629 | 0.74 | ALDH1A1 (0.49) | ALDH1A1KMT2AMEN1TP53GAA |
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-7790902-B2 | Isothiazole derivatives useful as anticancer agents | PFIZER, INC. (US) | 2010-09-07 | — | — | US | disclosed |
| US-20080300249-A1 | tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents | PFIZER, INC. (US) | 2008-12-04 | — | — | 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-20080300249-A1 | tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents | CDKN1A, TK1, CDK1 | ALDH1A1 891/4885KMT2A 1265/4885MEN1 1782/4885 |
“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.