Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 4/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA6 | P23280 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 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 | |
|---|---|---|---|---|
| SCHEMBL1499094 | 0.80 | SRD5A2 (0.62) | CA1CA2CA12CA6CA9 | |
| SCHEMBL30526132 | 0.77 | STS (0.46) | STSCA1CA2CA12CA9 | |
| SCHEMBL4640725 | 0.76 | ESR1 (0.62) | CA1CA2CA12CA6CA9 | |
| Phenol SCHEMBL8006870 | 0.76 | CA1 (0.50) | STSCA1CA2CA12CA6 | |
| Terephthalic Acid SCHEMBL27164912 | 0.75 | CA12 (0.74) | CA1CA2CA12CA6CA9 | |
| Terephthalic Acid SCHEMBL4640732 | 0.75 | CA12 (0.74) | CA1CA2CA12CA6CA9 | |
| Terephthalic Acid SCHEMBL15206567 | 0.73 | CA12 (0.59) | CA1CA2CA12CA6CA9 | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL11069761 | 0.72 | ESR1 (0.67) | CA1CA2CA12CA6CA9 | |
| 1-Hydroxy-3-Methoxybenzene SCHEMBL11066268 | 0.72 | ESR1 (0.67) | CA1CA2CA12CA6CA9 | |
| SCHEMBL29812596 | 0.72 | STS (0.51) | STSCA1CA2CA12CA9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6107447-A | LIQUID CRYSTALLINE POLYMERS | HOECHST RESEARCH TECHNOLOGY DEUTCHLAND GMBH & CO. KG (DE) | 2000-08-22 | — | — | US | disclosed |