Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3503371 | 0.84 | CYP2A6 (0.48) | ALDH1A1TDP1HSD17B3CYP2A6CYP2A13 | |
| SCHEMBL1026464 | 0.80 | TP53 (0.41) | ALDH1A1TDP1TSHRCYP2C19CYP2C9 | |
| SCHEMBL1530165 | 0.77 | ESR1 (0.39) | ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL7034982 | 0.77 | KMT2A (0.47) | ALDH1A1TSHRCYP2C19CYP2C9MEN1 | |
| SCHEMBL1025120 | 0.76 | — | — | |
| SCHEMBL5480662 | 0.76 | RECQL (0.41) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL2472803 | 0.76 | MEN1 (0.43) | ALDH1A1TDP1TSHRCYP2C19CYP2C9 | |
| SCHEMBL2567199 | 0.76 | ALDH1A1 (0.44) | ALDH1A1TDP1TSHRTAS1R3TAS1R1 | |
| SCHEMBL1064506 | 0.76 | TDP1 (0.41) | ALDH1A1TDP1TSHRCYP2C19CYP2C9 | |
| SCHEMBL16594120 | 0.76 | KMT2A (0.42) | ALDH1A1TDP1MEN1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-9770027-B2 | Heteroarylpiperidine and -piperazine derivatives as fungicides | BAYER CROPSCIENCE AG (DE) | 2017-09-26 | — | — | US | disclosed |
| US-9434723-B2 | Heteroarylpiperidine and -piperazine derivatives as fungicides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-09-06 | — | — | US | disclosed |
| US-20150351403-A1 | Heteroarylpiperidine and -piperazine derivatives as fungicides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2015-12-10 | — | — | US | disclosed |
| US-20150175598-A1 | HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2015-06-25 | — | — | US | disclosed |
| US-8263774-B2 | Quinoline-oxazoline compounds and their use in oxidation synthesis | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2012-09-11 | — | — | US | disclosed |
| EP-2423210-A1 | Heteroarylpiperidine and heteroarylpiperazine derivatives as fungicides | Bayer CropScience AG (DE) | 2012-02-29 | — | — | EP | disclosed |
| US-20110054176-A1 | QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-03-03 | — | — | 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 (3 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-20110054176-A1 | QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS | XDH, OXA1L, AOX1 | ALDH1A1 421/4885TDP1 2409/4885TSHR 2062/4885 |
| US-20150175598-A1 | HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES | CYP1A1, PRXL2A, CYP1A2 | ALDH1A1 1292/4885TDP1 2289/4885TSHR 2906/4885 |
| US-20150351403-A1 | Heteroarylpiperidine and -piperazine derivatives as fungicides | CYP1A1, PRXL2A, CYP1A2 | ALDH1A1 1292/4885TDP1 2289/4885TSHR 2906/4885 |
“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.