Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CHKA | P35790 | 1/20 | 0.50 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MET | P08581 | 2/20 | 0.47 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17888442 | 0.88 | ALDH1A1 (0.53) | ALDH1A1NPC1POLBRAB9ACHKA | |
| SCHEMBL17886955 | 0.84 | ALDH1A1 (0.49) | ALDH1A1NPC1POLBRAB9ACHKA | |
| SCHEMBL23930126 | 0.83 | PDK1 (0.56) | ALDH1A1NPC1POLBRAB9ACHKA | |
| SCHEMBL18711465 | 0.83 | USP30 (0.53) | ALDH1A1NPC1POLBRAB9ACHKA | |
| SCHEMBL19226651 | 0.83 | ALDH1A1 (0.47) | ALDH1A1NPC1POLBRAB9ACHKA | |
| SCHEMBL3239908 | 0.80 | CHKA (0.48) | ALDH1A1NPC1POLBRAB9ACHKA | |
| SCHEMBL18701602 | 0.80 | USP30 (0.51) | ALDH1A1NPC1POLBRAB9ACHKA | |
| SCHEMBL1721002 | 0.79 | NPC1 (0.57) | ALDH1A1NPC1POLBRAB9ACHKA | |
| SCHEMBL4375850 | 0.79 | NPC1 (0.57) | ALDH1A1NPC1POLBRAB9ACHKA | |
| SCHEMBL187244 | 0.79 | NPC1 (0.57) | ALDH1A1NPC1POLBRAB9ACHKA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9776993-B2 | Nitrogen-containing heterocyclic compounds for plant disease control | BAYER CROPSCIENCE AG (DE) | 2017-10-03 | — | — | US | disclosed |
| US-20170057951-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL | BAYER CROPSCIENCE AG | 2017-03-02 | — | — | 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 (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-20170057951-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS FOR PLANT DISEASE CONTROL | NOD1, BROX, CBR3 | ALDH1A1 3682/4885NPC1 2456/4885POLB 1312/4885 |
“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.