Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | BLM | P54132 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydroxyamine SCHEMBL27900806 | 0.96 | — | — | |
| Ethane SCHEMBL137663 | 0.93 | — | — | |
| Ethane SCHEMBL27668063 | 0.89 | — | — | |
| Methylamine SCHEMBL143865 | 0.89 | — | — | |
| Hydrazine SCHEMBL679587 | 0.89 | — | — | |
| SCHEMBL5991 | 0.89 | — | — | |
| SCHEMBL27346657 | 0.89 | TSHR (0.50) | CA2CA1TSHRUSP2CA5A | |
| SCHEMBL27308161 | 0.89 | TSHR (0.50) | CA2CA1TSHRUSP2CA5A | |
| SCHEMBL27259142 | 0.89 | TSHR (0.50) | CA2CA1TSHRUSP2CA5A | |
| SCHEMBL28366651 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1552056-A2 | TISSUE PAPER SOFTENING COMPOSITIONS AND TISSUE PAPERS COMPRISING THE SAME | THE PROCTER & GAMBLE COMPANY (US) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004035923-A2 | TISSUE PAPER SOFTENING COMPOSITIONS AND TISSUE PAPERS COMPRISING THE SAME | THE PROCTER & GAMBLE COMPANY (US) | 2004-04-29 | — | — | WO | disclosed |