Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.43 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.43 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2602416 | 0.87 | ALDH1A1 (0.40) | ALDH1A1 | |
| SCHEMBL2602418 | 0.87 | AOC3 (0.48) | — | |
| SCHEMBL2602417 | 0.85 | AKT1 (0.47) | ALDH1A1NPSR1RAB9ACYP2C9CYP2C19 | |
| SCHEMBL2602415 | 0.85 | ALDH1A1 (0.34) | ALDH1A1NPSR1RAB9ACYP2C9CYP2C19 | |
| SCHEMBL2602429 | 0.81 | CYP1A2 (0.41) | ALDH1A1NPSR1RAB9ACYP3A4CYP2C9 | |
| SCHEMBL2602428 | 0.78 | DHFR (0.35) | ALDH1A1NPSR1RAB9ACYP2C9CYP2C19 | |
| SCHEMBL13231714 | 0.78 | ESR2 (0.67) | ALDH1A1ESR1ESR2GRIA1CACNG8 | |
| SCHEMBL470631 | 0.74 | ESR1 (0.65) | ALDH1A1ESR1ESR2GRIA1CACNG8 | |
| SCHEMBL16521582 | 0.74 | ESR1 (0.74) | ALDH1A1ESR1ESR2GRIA1CACNG8 | |
| SCHEMBL13414459 | 0.73 | ESR1 (0.63) | ALDH1A1ESR1ESR2GRIA1CACNG8 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8362019-B2 | Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyrazine compounds | SPELMAN COLLEGE (US) | 2013-01-29 | — | — | US | disclosed |
| US-8357691-B2 | Synthesis and anti-proliferative effect of benzimidazole derivatives | SPELMAN COLLEGE (US) | 2013-01-22 | — | — | US | disclosed |
| US-8334302-B2 | Synthesis and anti-proliferative effect of substituted imidazo[4,5-b]pyridine compounds | SPELMAN COLLEGE (US) | 2012-12-18 | — | — | US | disclosed |
| US-8329728-B2 | Synthesis and anti-proliferative effect of substituted imidazo[4,5-c]pyridine compounds | SPELMAN COLLEGE (US) | 2012-12-11 | — | — | US | disclosed |
| US-20120095027-A1 | SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES | SPELMAN COLLEGE (US) | 2012-04-19 | — | — | US | disclosed |
| US-20120095037-A1 | SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES | SPELMAN COLLEGE (US) | 2012-04-19 | — | — | US | disclosed |
| US-20120095038-A1 | SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES | SPELMAN COLLEGE (US) | 2012-04-19 | — | — | US | disclosed |
| US-20120095009-A1 | SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES | SPELMAN COLLEGE (US) | 2012-04-19 | — | — | US | disclosed |
| US-8106084-B2 | Synthesis and anti-proliferative effect of benzimidazole derivatives | SPELMAN COLLEGE (US) | 2012-01-31 | — | — | US | disclosed |
| US-20110152278-A1 | SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES | SPELMAN COLLEGE (US) | 2011-06-23 | — | — | 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 (5 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-20120095027-A1 | SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES | TYMP, MKI67, CCNI | ALDH1A1 864/4885ESR1 3757/4885ESR2 4199/4885 |
| US-20120095037-A1 | SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES | MKI67, CCNI, TYMP | ALDH1A1 996/4885ESR1 3607/4885ESR2 4039/4885 |
| US-20120095009-A1 | SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES | MKI67, CCNI, TYMP | ALDH1A1 1026/4885ESR1 3859/4885ESR2 3901/4885 |
| US-20110152278-A1 | SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES | MKI67, PCNA, CCNI | ALDH1A1 1352/4885ESR1 3735/4885ESR2 3810/4885 |
| US-20120095038-A1 | SYNTHESIS AND ANTI-PROLIFERATIVE EFFECT OF BENZIMIDAZOLE DERIVATIVES | MKI67, CCNI, TYMP | ALDH1A1 949/4885ESR1 3698/4885ESR2 4179/4885 |
“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.