Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 12/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 12/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 12/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 12/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 12/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 12/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 12/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 12/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 12/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 12/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 12/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16345753 | 0.85 | ALDH1A1 (0.57) | NPC1HTTRAB9ASMN1; SMN2HDAC3 | |
| SCHEMBL16345786 | 0.83 | NPC1 (0.48) | NPC1HTTRAB9ASMN1; SMN2HDAC3 | |
| SCHEMBL17780634 | 0.82 | SMN1; SMN2 (0.57) | NPC1HTTRAB9ASMN1; SMN2POLB | |
| SCHEMBL16377637 | 0.82 | LTA4H (0.50) | NPC1HTTRAB9ASMN1; SMN2HDAC3 | |
| SCHEMBL16377640 | 0.82 | CA1 (0.61) | NPC1HTTRAB9ASMN1; SMN2HDAC3 | |
| SCHEMBL26036543 | 0.82 | HDAC3 (0.47) | NPC1SMN1; SMN2HDAC3HDAC4HDAC1 | |
| SCHEMBL17780631 | 0.81 | NPC1 (0.56) | NPC1HTTRAB9ASMN1; SMN2HDAC3 | |
| SCHEMBL18897768 | 0.81 | LTA4H (0.46) | NPC1HTTRAB9ASMN1; SMN2HDAC3 | |
| SCHEMBL16341648 | 0.81 | HDAC3 (0.49) | NPC1HTTRAB9ASMN1; SMN2HDAC3 | |
| SCHEMBL25978368 | 0.80 | CA1 (0.44) | NPC1HTTRAB9ASMN1; SMN2HDAC3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3017307-B1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIV STRASBOURG (FR) | 2018-11-21 | — | — | EP | disclosed |
| US-10131626-B2 | 3-aryl propiolonitrile compounds for thiol labeling | UNIVERSITE DE STRASBOURG (FR) | 2018-11-20 | — | — | US | disclosed |
| US-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2017-07-27 | — | — | US | disclosed |
| EP-3017307-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | Université de Strasbourg (FR) | 2016-05-11 | — | — | EP | disclosed |
| WO-2015001117-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIVERSITE DE STRASBOURG (FR) | 2015-01-08 | — | — | WO | 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-10131626-B2 | 3-aryl propiolonitrile compounds for thiol labeling | PTMS, TST, PNN | NPC1 4552/4885HTT 449/4885RAB9A 4100/4885 |
| US-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | PTMS, TST, PNN | NPC1 4552/4885HTT 449/4885RAB9A 4100/4885 |
“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.