Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28240227 | 0.97 | ESR1 (0.43) | ESR1CYP3A4CA1CA2CA9 | |
| Phenol SCHEMBL898454 | 0.88 | ESR1 (0.38) | ESR1CYP3A4KAT6AALDH1A1HSD17B10 | |
| Phenol SCHEMBL325759 | 0.83 | ESR1 (0.42) | ESR1CYP3A4CA1CA2CA9 | |
| Benzene SCHEMBL1563628 | 0.82 | CA2 (0.36) | CYP3A4CA1CA2CA9CA12 | |
| Benzene SCHEMBL9502651 | 0.82 | CA2 (0.36) | CYP3A4CA1CA2CA9CA12 | |
| Phenol SCHEMBL17304228 | 0.81 | ESR1 (0.41) | ESR1CYP3A4CA1CA2CA9 | |
| Naphthalene SCHEMBL4949571 | 0.81 | CA12 (0.39) | CYP3A4CA1CA2CA9CA12 | |
| SCHEMBL601413 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL5657457 | 0.78 | — | — | |
| Phenol SCHEMBL9390044 | 0.76 | ESR1 (0.38) | ESR1CYP3A4CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002083999-A1 | WOOL SCOURING PROCESS | HALLMARK DELL PTY LTD (AU) | 2002-10-24 | — | — | WO | claimed |
| WO-2002083999-A1 | WOOL SCOURING PROCESS | HALLMARK DELL PTY LTD (AU) | 2002-10-24 | — | — | WO | disclosed |