Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP7 | P09237 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL11328410 | 0.83 | CA2 (0.61) | CA2MAPK1CA1MMP1MMP7 | |
| 2-Ethylhexanoic Acid SCHEMBL556997 | 0.81 | CA2 (0.84) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL144740 | 0.77 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL3174647 | 0.76 | CA2 (0.60) | CA2MAPK1CA1MMP1MMP7 | |
| 2-Ethylhexanoic Acid SCHEMBL21174842 | 0.75 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL11706333 | 0.75 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL11170851 | 0.75 | CA2 (0.88) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL23802667 | 0.74 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL20582677 | 0.74 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL2787776 | 0.74 | CA2 (0.91) | CA2MAPK1CA1CYP3A4TSHR |
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-5969002-A | CONTAINING WATER SOLUBLE POLYISOCYANATE ADDITION PRODUCT | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-19 | — | — | US | disclosed |
| US-5910556-A | TRIMERIZING A POLYISOCYANATE WITH MONOHYDRIC POLYETHER CONTAINING ETHYLENE OXIDE UNITS. | BAYER AKTIENGESELLSCHAFT (DE) | 1999-06-08 | — | — | US | disclosed |