Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.40 |
| ▸ | PARL | Q9H300 | 4/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL313161 | 0.79 | CYP3A4 (0.50) | CYP3A4TDP1ESR1ESR2PARL | |
| Succinchlorimide SCHEMBL312793 | 0.79 | CYP3A4 (0.50) | CYP3A4TDP1ESR1ESR2PARL | |
| SCHEMBL29671537 | 0.74 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL30598562 | 0.74 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL29479421 | 0.74 | TDP1 (0.92) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL18779 | 0.74 | — | — | |
| SCHEMBL1058967 | 0.74 | — | — | |
| Cyclopentanone SCHEMBL9343959 | 0.71 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| SCHEMBL11797255 | 0.71 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2ALDH1A1 | |
| Bromide SCHEMBL417857 | 0.71 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2ALDH1A1 |
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-4423230-A | REACTING A 5-HYDROXY BENZO(1,2-B: 3,4-B')DIPYRROLE WITH TRIPHENYLPHOSPHINE AND CARBONTETRAHALIDE OR N-IODOSUCCINIMIDE | THE UPJOHN COMPANY (US) | 1983-12-27 | — | — | US | claimed |