Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL1095290 | 0.85 | ALDH1A1 (0.40) | ALDH1A1TDP1CYP1A2SMN1; SMN2KMT2A | |
| SCHEMBL23489143 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TDP1AKR1C3AKR1C1CYP1A2 | |
| SCHEMBL11482208 | 0.85 | PTGS1 (0.51) | ALDH1A1TDP1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL1096671 | 0.85 | PTGS1 (0.51) | ALDH1A1TDP1AKR1C3CYP2D6SMN1; SMN2 | |
| SCHEMBL10672047 | 0.85 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP1A2CYP2D6PKM | |
| SCHEMBL1095459 | 0.84 | FFAR1 (0.41) | ALDH1A1CYP1A2KMT2ATSHRCYP3A4 | |
| SCHEMBL3956408 | 0.83 | CYP1A2 (0.62) | ALDH1A1TDP1CYP1A2CYP2D6PKM | |
| SCHEMBL8595325 | 0.83 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP1A2CYP2D6PKM | |
| SCHEMBL1095744 | 0.83 | KMT2A (0.46) | ALDH1A1NPSR1KMT2A | |
| SCHEMBL29596730 | 0.81 | FFAR1 (0.44) | ALDH1A1TDP1CYP1A2SMN1; SMN2KMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002057475-A1 | STEREOSELECTIVE PREPARATION OF 3-HYDROXY-3-PHENYLPROPIONITRILE | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2002-07-25 | — | — | WO | claimed |
| 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 1232/4885TDP1 2414/4885AKR1C3 126/4885 |
| US-20080153905-A1 | Esters of 2-phenylalkanenitriles and antifungal compositions containing them | CYP51A1, ERG28, AKR7A2 | ALDH1A1 1232/4885TDP1 2414/4885AKR1C3 126/4885 |
“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.