Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28159058 | 1.00 | CTSK (0.40) | CTSKCXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL10779188 | 1.00 | CTSK (0.40) | CTSKCXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL9650250 | 1.00 | CTSK (0.40) | CTSKCXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL9650245 | 1.00 | CTSK (0.40) | CTSKCXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL10779184 | 1.00 | CTSK (0.40) | CTSKCXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL1003717 | 0.98 | — | — | |
| SCHEMBL1004654 | 0.91 | — | — | |
| Benzonitrile SCHEMBL8498100 | 0.82 | TSHR (0.45) | SMN1; SMN2ALOX15USP2NPSR1ALDH1A1 | |
| SCHEMBL14244155 | 0.79 | SMN1; SMN2 (0.42) | CTSKCXCR3SMN1; SMN2ALOX15USP2 | |
| SCHEMBL8521332 | 0.77 | ALDH1A1 (0.43) | CTSKSMN1; SMN2ALOX15USP2NPSR1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4851552-A | CYCLODODECANONE, CYANOACETIC ACID, HYDROLYSIS, CYCLIZATION, REDUCTION | HUELS AKTIENGESELLSCHAFT (DE) | 1989-07-25 | — | — | US | claimed |
| US-4755615-A | Process for the production of cyclododecenylacetonitrile | HUELS AKTIENGESELLSCHAFT (DE) | 1988-07-05 | — | — | US | claimed |
| US-4722808-A | Use of cyclododecenylacetonitrile as a fragrance component | HUELS AKTIENGESELLSCHAFT (DE) | 1988-02-02 | — | — | US | claimed |
| EP-0149054-B1 | METHOD FOR THE PREPARATION OF CYCLODODECENYLACETONITRIL AND ITS USE AS FRAGRANCE OR AS A COMPONENT OF A FRAGRANT COMPOSITION | HÜLS AKTIENGESELLSCHAFT (DE) | 1987-02-04 | — | — | EP | claimed |
| US-4851552-A | CYCLODODECANONE, CYANOACETIC ACID, HYDROLYSIS, CYCLIZATION, REDUCTION | HUELS AKTIENGESELLSCHAFT (DE) | 1989-07-25 | — | — | US | disclosed |
| US-4851552-A | CYCLODODECANONE, CYANOACETIC ACID, HYDROLYSIS, CYCLIZATION, REDUCTION | HUELS AKTIENGESELLSCHAFT (DE) | 1989-07-25 | — | — | US | disclosed |
| US-4755615-A | Process for the production of cyclododecenylacetonitrile | HUELS AKTIENGESELLSCHAFT (DE) | 1988-07-05 | — | — | US | disclosed |
| US-4755615-A | Process for the production of cyclododecenylacetonitrile | HUELS AKTIENGESELLSCHAFT (DE) | 1988-07-05 | — | — | US | disclosed |
| US-4755615-A | Process for the production of cyclododecenylacetonitrile | HUELS AKTIENGESELLSCHAFT (DE) | 1988-07-05 | — | — | US | disclosed |
| US-4722808-A | Use of cyclododecenylacetonitrile as a fragrance component | HUELS AKTIENGESELLSCHAFT (DE) | 1988-02-02 | — | — | US | disclosed |
| US-4722808-A | Use of cyclododecenylacetonitrile as a fragrance component | HUELS AKTIENGESELLSCHAFT (DE) | 1988-02-02 | — | — | US | disclosed |
| US-4722808-A | Use of cyclododecenylacetonitrile as a fragrance component | HUELS AKTIENGESELLSCHAFT (DE) | 1988-02-02 | — | — | US | disclosed |
| EP-0149054-B1 | METHOD FOR THE PREPARATION OF CYCLODODECENYLACETONITRIL AND ITS USE AS FRAGRANCE OR AS A COMPONENT OF A FRAGRANT COMPOSITION | HÜLS AKTIENGESELLSCHAFT (DE) | 1987-02-04 | — | — | EP | disclosed |
| EP-0149054-A2 | Method for the preparation of cyclododecenylacetonitril and its use as fragrance or as a component of a fragrant composition | HÜLS AKTIENGESELLSCHAFT (DE) | 1985-07-24 | — | — | EP | disclosed |