Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8305118 | 0.87 | CHRM2 (0.54) | ALDH1A1TSHRATMCHRM2KDM4E | |
| SCHEMBL2841443 | 0.85 | TSHR (0.53) | ALDH1A1TSHRATMKDM4ELMNA | |
| SCHEMBL64663 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TSHRKDM4EPOLBHSD17B10 | |
| SCHEMBL10005850 | 0.80 | CHRM2 (0.57) | ALDH1A1TSHRATMCHRM2KDM4E | |
| SCHEMBL9372019 | 0.79 | TSHR (0.59) | ALDH1A1TSHRATMCHRM2KDM4E | |
| SCHEMBL11164243 | 0.78 | ALDH1A1 (0.60) | ALDH1A1TSHRKDM4EPOLBHSD17B10 | |
| SCHEMBL1645027 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TSHRKDM4ELMNAPOLB | |
| SCHEMBL6641439 | 0.77 | CYP4F2 (0.55) | ALDH1A1TSHRPOLBHSD17B10HPGD | |
| SCHEMBL549268 | 0.76 | LTA4H (0.60) | ALDH1A1ATMPOLBMAPTSMN1; SMN2 | |
| SCHEMBL9403764 | 0.76 | HSD17B10 (0.61) | ALDH1A1TSHRKDM4ELMNAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-8217031-B2 | Heteroaryl derivatives | NIPPON SHINYAKU CO., LTD. (JP) | 2012-07-10 | — | — | US | disclosed |
| CN-101646678-B | heteroaryl derivatives | NIPPON SHINYAKU CO LTD | 2012-05-30 | — | — | CN | disclosed |
| US-20100048537-A1 | HETEROARYL DERIVATIVES | NIPPON SHINYAKU CO., LTD. (JP) | 2010-02-25 | — | — | US | disclosed |
| EP-2141168-A1 | HETEROARYL DERIVATIVES | Nippon Shinyaku Co., Ltd. (JP) | 2010-01-06 | — | — | EP | disclosed |
| WO-1996036595-A1 | 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | 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-20100048537-A1 | HETEROARYL DERIVATIVES | OPRD1, OPRM1, OPRK1 | ALDH1A1 66/4885TSHR 1940/4885ATM 2583/4885 |
“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.