Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5285126 | 0.82 | THRB (0.55) | APEX1THRBTDP1S100A4KMT2A | |
| SCHEMBL6771024 | 0.78 | THRB (0.39) | APEX1THRBTDP1S100A4KMT2A | |
| SCHEMBL6777657 | 0.75 | APEX1 (0.40) | APEX1THRBTDP1S100A4 | |
| SCHEMBL29365039 | 0.73 | APEX1 (0.52) | APEX1THRBTDP1S100A4KMT2A | |
| SCHEMBL1069782 | 0.73 | APEX1 (0.52) | APEX1THRBTDP1S100A4KMT2A | |
| SCHEMBL29556938 | 0.73 | APEX1 (0.52) | APEX1THRBTDP1S100A4KMT2A | |
| SCHEMBL9938667 | 0.71 | THRB (0.47) | APEX1THRBTDP1S100A4KMT2A | |
| SCHEMBL15691564 | 0.71 | THRB (0.57) | APEX1THRBTDP1S100A4KMT2A | |
| SCHEMBL15691696 | 0.71 | THRB (0.57) | APEX1THRBTDP1S100A4KMT2A | |
| SCHEMBL30888607 | 0.71 | THRB (0.47) | APEX1THRBTDP1S100A4KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4474968-A | Cyclopentene derivatives | THE UPJOHN COMPANY (US) | 1984-10-02 | — | — | US | disclosed |
| US-4458089-A | ANTITUMOR AGENTS, MICROBIOCIDES | THE UPJOHN COMPANY (US) | 1984-07-03 | — | — | US | disclosed |
| US-4458084-A | Cyclopentene derivatives | THE UPJOHN COMPANY (US) | 1984-07-03 | — | — | US | disclosed |
| US-4458083-A | ANTITUMOR AGENTS, MICROBIOCIDES | THE UPJOHN COMPANY (US) | 1984-07-03 | — | — | US | disclosed |
| US-4455430-A | ANTITUMOR AGENTS, MICROCIDES | THE UPJOHN COMPANY (US) | 1984-06-19 | — | — | US | disclosed |
| US-RE31578-E | ANTITUMOR AGENTS, BACTERICIDES | THE UPJOHN COMPANY (US) | 1984-05-01 | — | — | US | disclosed |
| US-4298744-A | CHLORINATION OF ISOMERIC ANALOG | THE UPJOHN COMPANY (US) | 1981-11-03 | — | — | US | disclosed |
| US-4275214-A | ANALOGS OF TRICHOLOMIC ACID USEFUL AS INTERMEDIATES IN THE PREPARATION OF AT-125 | THE UPJOHN COMPANY (US) | 1981-06-23 | — | — | US | disclosed |
| US-4256898-A | INTERMEDIATES FOR MAKING (ALPHAS, 5S)-ALPHA-AMINO-3-CHLORO-2-ISOXAZOLINE-5-ACETIC ACID (AT-125) | THE UPJOHN COMPANY (US) | 1981-03-17 | — | — | US | disclosed |