Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | NPC1 | O15118 | 4/20 | 0.61 |
| ▸ | RAB9A | P51151 | 4/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.58 |
| ▸ | APP | P05067 | 3/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.49 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | ERN1 | O75460 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21370452 | 0.94 | NPC1 (0.61) | ALDH1A1NPC1RAB9ATDP1TUBB1 | |
| SCHEMBL14367331 | 0.91 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9ATDP1TUBB1 | |
| SCHEMBL31591495 | 0.90 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ATDP1TUBB1 | |
| SCHEMBL31533148 | 0.90 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ATDP1TUBB1 | |
| SCHEMBL435043 | 0.90 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9ATDP1TUBB1 | |
| SCHEMBL28611584 | 0.88 | TUBB1 (0.74) | ALDH1A1NPC1RAB9ATDP1TUBB1 | |
| SCHEMBL15474693 | 0.87 | ALDH1A1 (0.58) | ALDH1A1NPC1RAB9ATDP1TUBB1 | |
| SCHEMBL22090594 | 0.86 | HDAC8 (0.53) | ALDH1A1NPC1RAB9ATDP1TUBB1 | |
| SCHEMBL6690276 | 0.86 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9ATDP1TUBB1 | |
| SCHEMBL7147744 | 0.85 | TUBB1 (0.66) | ALDH1A1NPC1RAB9ATDP1TUBB1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3323816-A1 | NOVEL PYRAZOLE DERIVATIVE | Green Tech Co., Ltd. (JP) | 2018-05-23 | — | — | EP | disclosed |
| US-9399635-B2 | Pyrazole derivative | GREEN TECH CO., LTD. (JP) | 2016-07-26 | — | — | US | disclosed |
| US-20140088029-A1 | NOVEL PYRAZOLE DERIVATIVE | PHARMA EIGHT CO., LTD. (JP) | 2014-03-27 | — | — | US | disclosed |
| EP-2698368-A1 | NOVEL PYRAZOLE DERIVATIVE | Pharma Eight Co. Ltd (JP) | 2014-02-19 | — | — | EP | disclosed |
| US-7119095-B2 | Pharmaceutically active compounds and methods of use thereof | DANA FARBER CANCER INSTITUTE (US) | 2006-10-10 | — | — | US | disclosed |
| US-20040242614-A1 | Pharmaceutically active compounds and methods of use thereof | DANA-FARBER CANCER INSTITUTE | 2004-12-02 | — | — | US | disclosed |
| WO-2003043979-A2 | PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE THEREOF | DANA FARBER CANCER INSTITUTE (US) | 2003-05-30 | — | — | 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-20140088029-A1 | NOVEL PYRAZOLE DERIVATIVE | PSEN2, MAPT, PSEN1 | ALDH1A1 675/4885NPC1 444/4885RAB9A 1154/4885 |
| US-20040242614-A1 | Pharmaceutically active compounds and methods of use thereof | DHFR, DPYD, MTHFD1 | ALDH1A1 218/4885NPC1 665/4885RAB9A 4107/4885 |
“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.