Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PTGFR | P43088 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5398682 | 0.90 | KMT2A (0.44) | HCRTR1HCRTR2ALDH1A1TDP1CYP2D6 | |
| SCHEMBL5401118 | 0.88 | KMT2A (0.39) | HCRTR1HCRTR2ALDH1A1TDP1CYP2D6 | |
| SCHEMBL5402920 | 0.88 | ALDH1A1 (0.51) | KDM4EHCRTR1HCRTR2RAF1MAP2K1 | |
| SCHEMBL5405895 | 0.87 | HCRTR1 (0.39) | KDM4EHCRTR1HCRTR2ALDH1A1TDP1 | |
| SCHEMBL5412315 | 0.87 | KMT2A (0.39) | HCRTR1HCRTR2ALDH1A1TDP1NPC1 | |
| SCHEMBL5407055 | 0.87 | KMT2A (0.43) | ALDH1A1TDP1CYP2D6POLB | |
| SCHEMBL5401457 | 0.86 | HTR2C (0.43) | ALDH1A1TDP1 | |
| SCHEMBL5401005 | 0.85 | KMT2A (0.48) | ALDH1A1TDP1CYP2D6 | |
| SCHEMBL5396980 | 0.85 | POLB (0.41) | HCRTR1HCRTR2ALDH1A1TDP1NPC1 | |
| SCHEMBL5398782 | 0.84 | HCRTR1 (0.42) | KDM4EHCRTR1HCRTR2ALDH1A1CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7285680-B2 | β-alanine derivatives and the use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-10-23 | — | — | US | disclosed |
| US-20050256160-A1 | Beta-alanine derivatives and the use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-11-17 | — | — | US | disclosed |
| EP-1533294-A1 | BETA-ALANINE DERIVATIVE AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-05-25 | — | — | EP | 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-20050256160-A1 | Beta-alanine derivatives and the use thereof | TGFB1, PML, APOB | KDM4E 4680/4885HCRTR1 2878/4885HCRTR2 2515/4885 |
“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.