Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5036652 | 0.80 | ALDH1A1 (0.33) | ALDH1A1MAPTHPGDCASP1MLYCD | |
| SCHEMBL16781253 | 0.79 | KDM4E (0.33) | ALDH1A1MAPTHPGDHSD17B10L3MBTL1 | |
| SCHEMBL7059455 | 0.78 | DPP4 (0.40) | L3MBTL1MEN1KMT2AHTTDPP4 | |
| SCHEMBL2815049 | 0.77 | ALDH1A1 (0.32) | ALDH1A1MAPTHPGDCASP1MLYCD | |
| Acetonitrile SCHEMBL30270573 | 0.76 | MEN1 (0.31) | L3MBTL1MEN1KMT2AHTT | |
| SCHEMBL17183926 | 0.76 | — | — | |
| SCHEMBL12258511 | 0.74 | DPP4 (0.35) | ALDH1A1MAPTCASP1MLYCDMEN1 | |
| SCHEMBL332512 | 0.73 | CA12 (0.36) | ALDH1A1HPGDL3MBTL1NPC1MEN1 | |
| SCHEMBL319857 | 0.73 | MEN1 (0.35) | ALDH1A1MAPTMLYCDL3MBTL1NPC1 | |
| SCHEMBL1878409 | 0.72 | POLB (0.42) | ALDH1A1MAPTPOLBHPGDCASP1 |
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-20160223559-A1 | TETRAZINE-CONTAINING COMPOUNDS AND SYNTHETIC METHODS THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-08-04 | — | — | US | disclosed |
| US-20140081025-A1 | HETEROAROMATIC RING DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2014-03-20 | — | — | US | disclosed |
| EP-2708537-A1 | HETEROAROMATIC RING DERIVATIVE | Taisho Pharmaceutical Co., Ltd. (JP) | 2014-03-19 | — | — | EP | disclosed |
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | 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 (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-20140081025-A1 | HETEROAROMATIC RING DERIVATIVE | HCRTR2, HCRTR1, HTT | ALDH1A1 1060/4885MAPT 413/4885POLB 3638/4885 |
| US-20160223559-A1 | TETRAZINE-CONTAINING COMPOUNDS AND SYNTHETIC METHODS THEREOF | HCK, TTK, TLK1 | ALDH1A1 3233/4885MAPT 1070/4885POLB 3366/4885 |
“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.