Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TLR4 | O00206 | 2/20 | 0.38 |
| ▸ | TLR2 | O60603 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4170506 | 0.83 | CHRM2 (0.46) | KMT2A | |
| SCHEMBL10866556 | 0.82 | PTGS1 (0.43) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL11544353 | 0.82 | PTGS1 (0.50) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL11259635 | 0.82 | TLR4 (0.48) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL4171910 | 0.81 | SGMS2 (0.60) | KMT2AALOX5ALDH1A1MAOBTSHR | |
| SCHEMBL9489967 | 0.79 | TSHR (0.46) | KMT2ACYP2D6ALDH1A1AKR1C3TSHR | |
| SCHEMBL544445 | 0.79 | TSHR (0.46) | KMT2ACYP2D6ALDH1A1AKR1C3TSHR | |
| SCHEMBL17081249 | 0.79 | ALDH1A1 (0.50) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL9751873 | 0.79 | ALDH1A1 (0.50) | PTGS1MEN1KMT2ACYP2D6ALOX5 | |
| SCHEMBL7191294 | 0.79 | PTGS1 (0.53) | PTGS1MEN1KMT2ACYP2D6ALOX5 |
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 | PTGS1 4626/4885MEN1 2654/4885KMT2A 2637/4885 |
| US-20080153905-A1 | Esters of 2-phenylalkanenitriles and antifungal compositions containing them | CYP51A1, ERG28, AKR7A2 | PTGS1 4626/4885MEN1 2654/4885KMT2A 2637/4885 |
“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.