Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1096603 | 0.83 | KMT2A (0.37) | ALDH1A1TSHRSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL2935526 | 0.82 | CCR1 (0.38) | ALDH1A1TSHRSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL1095252 | 0.82 | CASP1 (0.42) | ALDH1A1TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL1096359 | 0.82 | CNR2 (0.39) | ALDH1A1TDP1SMN1; SMN2KMT2APOLB | |
| SCHEMBL1095410 | 0.80 | KCNK3 (0.39) | ALDH1A1GAAPOLBHTTNPSR1 | |
| SCHEMBL1094965 | 0.78 | ALDH1A1 (0.44) | ALDH1A1TSHRTDP1SMN1; SMN2KMT2A | |
| Benzene SCHEMBL1095513 | 0.73 | PPARG (0.36) | ALDH1A1TSHRTDP1SMN1; SMN2KMT2A | |
| SCHEMBL1095268 | 0.73 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1SMN1; SMN2KMT2A | |
| SCHEMBL1095536 | 0.72 | NOTUM (0.33) | — | |
| Benzene SCHEMBL1097123 | 0.72 | USP2 (0.42) | ALDH1A1GAAPOLBHTT |
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 | ALDH1A1 1232/4885TSHR 4784/4885TDP1 2414/4885 |
| US-20080153905-A1 | Esters of 2-phenylalkanenitriles and antifungal compositions containing them | CYP51A1, ERG28, AKR7A2 | ALDH1A1 1232/4885TSHR 4784/4885TDP1 2414/4885 |
“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.