Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | GALR3 | O60755 | 1/20 | 0.45 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.45 |
| ▸ | UBE2N | P61088 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | RGS4 | P49798 | 1/20 | 0.41 |
| ▸ | RGS8 | P57771 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15015882 | 0.80 | ATM (0.47) | ALDH1A1GAAKDM4EPOLBMAPT | |
| SCHEMBL17464947 | 0.78 | KDM4E (0.48) | ALDH1A1GAAKDM4EPOLBMAPT | |
| SCHEMBL761973 | 0.74 | CDK4 (0.38) | ALDH1A1POLBKMT2AHPGD | |
| SCHEMBL15215749 | 0.73 | ALDH1A1 (0.56) | ALDH1A1GAAKDM4EPOLBMAPT | |
| SCHEMBL15215746 | 0.73 | ALDH1A1 (0.56) | ALDH1A1GAAKDM4EPOLBMAPT | |
| Hydrochloric Acid SCHEMBL7585345 | 0.72 | ALDH1A1 (0.59) | ALDH1A1GAAKDM4EPOLBMAPT | |
| SCHEMBL12596382 | 0.72 | POLB (0.61) | ALDH1A1GAAKDM4EPOLBMAPT | |
| SCHEMBL5266802 | 0.72 | CYP11B2 (0.45) | ALDH1A1KDM4EPOLBRAB9A | |
| SCHEMBL11719377 | 0.71 | P2RX3 (0.54) | ALDH1A1KDM4EPOLBMAPTSMN1; SMN2 | |
| SCHEMBL2950629 | 0.70 | LMNA (0.71) | ALDH1A1GAAPOLBSMN1; SMN2MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170298058-A1 | HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE | SHIONOGI & CO (JP) | 2017-10-19 | — | — | US | disclosed |
| US-9550763-B2 | Heterocyclic ring and carbocyclic derivative | SHIONOGI & CO., LTD. (JP) | 2017-01-24 | — | — | US | disclosed |
| US-9212130-B2 | Heterocyclic derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| US-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO., LTD. (JP) | 2013-08-29 | — | — | 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-20170298058-A1 | HETEROCYCLIC RING AND CARBOCYCLIC DERIVATIVE | P2RX3, P2RX7, P2RX2 | ALDH1A1 2515/4885GAA 4737/4885KDM4E 3118/4885 |
| US-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | P2RX3, P2RX6, P2RX2 | ALDH1A1 2598/4885GAA 3933/4885KDM4E 4175/4885 |
“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.