Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.56 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL383891 | 0.92 | ALDH1A1 (0.65) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL19336450 | 0.90 | HPRT1 (0.61) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL19336403 | 0.90 | HPRT1 (0.67) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL19336404 | 0.88 | HPRT1 (0.64) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL19336426 | 0.88 | HPRT1 (0.64) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL19336402 | 0.88 | HPRT1 (0.64) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL19336433 | 0.88 | HPRT1 (0.64) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL19336383 | 0.88 | HPRT1 (0.70) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL383544 | 0.88 | HPRT1 (0.70) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 | |
| SCHEMBL384281 | 0.88 | HPRT1 (0.70) | ALDH1A1HSD17B10HIF1ACYP1B1HPRT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2945958-B1 | ORGANOMETALLIC COMPLEX AND ORGANIC LIGHT-EMITTING ELEMENT USING THE COMPLEX | CANON KK (JP) | 2017-09-13 | — | — | EP | disclosed |