Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.94 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.86 |
| ▸ | DHFR | P00374 | 4/20 | 0.69 |
| ▸ | TYMS | P04818 | 3/20 | 0.69 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL38664589 | 0.97 | AKR1C1 (1.00) | AKR1C1HSP90AA1DHFRTYMSPRMT1 | |
| SCHEMBL1649630 | 0.97 | AKR1C1 (1.00) | AKR1C1HSP90AA1DHFRTYMSPRMT1 | |
| SCHEMBL4445190 | 0.95 | AKR1C1 (0.97) | AKR1C1HSP90AA1DHFRTYMSPRMT1 | |
| Phenol SCHEMBL9359803 | 0.92 | AKR1C1 (0.89) | AKR1C1HSP90AA1DHFRTYMSPRMT1 | |
| Biphenyl SCHEMBL10457275 | 0.92 | AKR1C1 (0.89) | AKR1C1HSP90AA1DHFRTYMSPRMT1 | |
| Phenol SCHEMBL959033 | 0.92 | AKR1C1 (0.89) | AKR1C1HSP90AA1DHFRTYMSPRMT1 | |
| SCHEMBL11459322 | 0.90 | AKR1C1 (0.82) | AKR1C1HSP90AA1DHFRTYMSPRMT1 | |
| SCHEMBL11512647 | 0.84 | LMNA (0.79) | AKR1C1HSP90AA1DHFRTYMSPRMT1 | |
| Fluorescein SCHEMBL2585358 | 0.84 | FTO (0.77) | AKR1C1HSP90AA1DHFRTYMSPRMT1 | |
| SCHEMBL8155538 | 0.82 | DHFR (0.74) | AKR1C1HSP90AA1DHFRTYMSPRMT1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-57026747-A | — | — | None | — | — | JP | disclosed |
| JP-S5726747-A | METHOD FOR DETECTING AND DETERMINING TRACE OF HISTAMINE | YAMANOUCHI PHARMACEUT CO LTD | 1982-02-12 | — | — | JP | disclosed |