Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 14/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.43 |
| ▸ | AR | P10275 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL72006 | 0.84 | TP53 (0.50) | TP53TDP1PDE10AESR1ESR2 | |
| SCHEMBL7446725 | 0.82 | TRPA1 (0.42) | TP53TDP1ESR1ARKDM4E | |
| SCHEMBL15030378 | 0.79 | TDP1 (0.41) | TDP1KDM4EALDH1A1MAPT | |
| Perchlorate SCHEMBL9574229 | 0.79 | TP53 (0.45) | TP53TDP1PDE10AESR1ESR2 | |
| SCHEMBL13799732 | 0.78 | ESR1 (0.44) | TP53TDP1PDE10AESR1ESR2 | |
| SCHEMBL13451468 | 0.77 | SHBG (0.37) | ESR1ESR2ARKDM4ECYP3A4 | |
| SCHEMBL17231836 | 0.77 | ALDH1A1 (0.48) | TDP1PDE10AKDM4EALDH1A1CYP3A4 | |
| SCHEMBL18834055 | 0.77 | ALOX15 (0.46) | ESR1ESR2ALOX15ALOX12 | |
| SCHEMBL11522267 | 0.76 | ESR1 (0.42) | TP53TDP1PDE10AESR1ESR2 | |
| SCHEMBL19314239 | 0.75 | TP53 (0.41) | TP53TDP1PDE10AESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4027018-A | INSECTICIDES, ACARACIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-05-31 | — | — | US | disclosed |
| US-4000270-A | INSECTIDES, ACARICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-28 | — | — | US | disclosed |
| US-3954919-A | INSECTICIDES, MITICIDES, NEMATOCIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-04 | — | — | US | disclosed |