Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | CTSG | P08311 | 1/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL1097123 | 0.83 | USP2 (0.42) | ALDH1A1TP53MAPT | |
| SCHEMBL1097210 | 0.83 | USP2 (0.44) | ALDH1A1TP53HIF1A | |
| SCHEMBL1096585 | 0.83 | USP2 (0.41) | ALDH1A1HIF1A | |
| SCHEMBL1095475 | 0.82 | ALDH1A1 (0.37) | ALDH1A1ADRB2ADRB1ADRB3TSHR | |
| SCHEMBL2935526 | 0.82 | CCR1 (0.38) | CCR1ALDH1A1TSHR | |
| SCHEMBL1095536 | 0.81 | NOTUM (0.33) | NPBWR1 | |
| SCHEMBL1095255 | 0.80 | PDE2A (0.39) | ALDH1A1MAPTCYP2D6 | |
| SCHEMBL1096359 | 0.79 | CNR2 (0.39) | ALDH1A1 | |
| Benzene SCHEMBL1095513 | 0.79 | PPARG (0.36) | ALDH1A1TSHRMAPT | |
| SCHEMBL14200056 | 0.78 | CASP1 (0.49) | CASP1ALDH1A1ADRB2ADRB1ADRB3 |
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-2148854-B1 | ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM | STOUTAMIRE DONALD WESLEY (US) | 2013-02-20 | — | — | EP | disclosed |
| US-8153688-B2 | Esters of 2-phenylalkanenitriles and antifungal compositions containing them | MCS Laboratories, Inc. (US) | 2012-04-10 | — | — | US | disclosed |
| EP-2148854-A2 | ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM | Stoutamire, Donald Wesley (US) | 2010-02-03 | — | — | EP | disclosed |
| US-20100022640-A1 | ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM | MCS LABORATORIES INC. | 2010-01-28 | — | — | US | disclosed |
| US-7622504-B2 | Esters of 2-phenylalkanenitriles and antifungal compositions containing them | MCS Laboratories, Inc. (US) | 2009-11-24 | — | — | US | disclosed |
| WO-2008088538-A2 | ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM | STOUTAMIRE DONALD WESLEY (US) | 2008-07-24 | — | — | WO | disclosed |
| US-20080153905-A1 | Esters of 2-phenylalkanenitriles and antifungal compositions containing them | MCS LABORATORIES INC. | 2008-06-26 | — | — | 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 (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-20100022640-A1 | ESTERS OF 2-PHENYLALKANENITRILES AND ANTIFUNGAL COMPOSITIONS CONTAINING THEM | CYP51A1, ERG28, AKR7A2 | CASP1 225/4885CCR1 1265/4885ALDH1A1 1232/4885 |
| US-20080153905-A1 | Esters of 2-phenylalkanenitriles and antifungal compositions containing them | CYP51A1, ERG28, AKR7A2 | CASP1 225/4885CCR1 1265/4885ALDH1A1 1232/4885 |
“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.