Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10314328 | 0.95 | ALDH1A1 (0.49) | ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD | |
| Trifluoroacetic Acid SCHEMBL1063011 | 0.90 | ALDH1A1 (0.48) | ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD | |
| Trifluoroacetic Acid SCHEMBL1058632 | 0.88 | ALDH1A1 (0.51) | ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD | |
| Trifluoroacetic Acid SCHEMBL1061585 | 0.88 | ALDH1A1 (0.47) | ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD | |
| Trifluoroacetic Acid SCHEMBL1060742 | 0.88 | L3MBTL1 (0.41) | ALDH1A1KDM4EKMT2ASMN1; SMN2TP53 | |
| Trifluoroacetic Acid SCHEMBL1062441 | 0.87 | KMT2A (0.46) | ALDH1A1KDM4EKMT2ASMN1; SMN2TP53 | |
| Trifluoroacetic Acid SCHEMBL1080707 | 0.87 | MAPT (0.45) | ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD | |
| Trifluoroacetic Acid SCHEMBL1060311 | 0.87 | MITF (0.47) | ALDH1A1KDM4EKMT2AHPGDTP53 | |
| Trifluoroacetic Acid SCHEMBL1061583 | 0.86 | ALDH1A1 (0.48) | ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD | |
| Trifluoroacetic Acid SCHEMBL1059829 | 0.86 | RXFP1 (0.42) | ALDH1A1KDM4EKMT2ASMN1; SMN2HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2247588-B1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-04-13 | — | — | EP | disclosed |
| US-8399449-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-03-19 | — | — | US | disclosed |
| US-8217176-B2 | Fused heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-01-06 | — | — | US | disclosed |
| US-20090227561-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-10 | — | — | 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 (2 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-20110003788-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | SMO, NR1H2, NR1H4 | ALDH1A1 745/4885KDM4E 528/4885KMT2A 453/4885 |
| US-20090227561-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | SMO, NR1H2, NR1H4 | ALDH1A1 776/4885KDM4E 464/4885KMT2A 386/4885 |
“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.