Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CTRC | Q99895 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL10011381 | 0.97 | ALDH1A1 (0.60) | ALDH1A1CTRCTAAR1CYP1A2MAPK1 | |
| SCHEMBL30122416 | 0.97 | ALDH1A1 (0.60) | ALDH1A1CTRCTAAR1CYP1A2MAPK1 | |
| Hydrochloric Acid SCHEMBL20240309 | 0.94 | ALDH1A1 (0.56) | ALDH1A1CTRCTAAR1CYP1A2MAPK1 | |
| Biphenyl SCHEMBL6447246 | 0.87 | ALDH1A1 (0.64) | ALDH1A1CTRCTAAR1CYP1A2MAPK1 | |
| Biphenyl SCHEMBL8393809 | 0.84 | ALDH1A1 (0.60) | ALDH1A1CTRCTAAR1CYP1A2MAPK1 | |
| Tannin Pyrogallol SCHEMBL11665499 | 0.83 | ALDH1A1 (0.82) | ALDH1A1TAAR1CYP1A2MAPK1CYP3A4 | |
| SCHEMBL9926565 | 0.83 | ALDH1A1 (0.38) | ALDH1A1CTRCTAAR1CYP1A2MAPK1 | |
| SCHEMBL20591163 | 0.82 | CYP1A2 (0.44) | ALDH1A1CTRCTAAR1CYP1A2MAPK1 | |
| Biphenyl SCHEMBL27536544 | 0.80 | ACHE (0.50) | ALDH1A1TDP1MAPTSMN1; SMN2SLC22A2 | |
| Biphenyl SCHEMBL11854792 | 0.80 | CYP1A2 (0.70) | ALDH1A1CTRCCYP1A2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116804029-A | Fluorination method of secondary phosphine oxide | 浙江工业大学 | 2023-09-26 | — | — | CN | disclosed |