Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL27697592 | 0.80 | TSHR (0.39) | SMN1; SMN2CA14CA12CA1CA2 | |
| SCHEMBL16368799 | 0.80 | KMT2A (0.41) | SMN1; SMN2CA14CA12CA1CA2 | |
| SCHEMBL27437489 | 0.80 | CA1 (0.41) | SMN1; SMN2CA14CA12CA1CA2 | |
| SCHEMBL9065136 | 0.78 | SMN1; SMN2 (0.37) | SMN1; SMN2CA14CA12CA1CA2 | |
| SCHEMBL275280 | 0.78 | SMN1; SMN2 (0.52) | SMN1; SMN2CA14CA12CA1CA2 | |
| SCHEMBL27508618 | 0.77 | ALDH1A1 (0.50) | SMN1; SMN2CA1CA2TSHR | |
| SCHEMBL27795691 | 0.77 | ALDH1A1 (0.36) | SMN1; SMN2CA14CA12CA1CA2 | |
| SCHEMBL27709136 | 0.77 | TSHR (0.38) | SMN1; SMN2CA14CA1CA2TSHR | |
| SCHEMBL2865670 | 0.77 | — | — | |
| SCHEMBL9647608 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5569780-A | Dialkyl 2-haloethyl malonates | HULS AKTIENGESELLSCHAFT (DE) | 1996-10-29 | — | — | US | disclosed |
| US-5463111-A | Process for preparing dialkyl 2-haloethyl malonates | HULS AKTIENGESELLSCHAFT (DE) | 1995-10-31 | — | — | US | disclosed |