Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.46 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.46 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11230516 | 1.00 | CYP1A2 (0.57) | CYP1A2SIGMAR1ALDH1A1TSHRMAPT | |
| SCHEMBL9209516 | 0.98 | CYP1A2 (0.54) | CYP1A2SIGMAR1ALDH1A1TSHRMAPT | |
| SCHEMBL6625337 | 0.98 | CYP1A2 (0.59) | CYP1A2SIGMAR1ALDH1A1TSHRMAPT | |
| Hydrochloric Acid SCHEMBL1678031 | 0.96 | CYP1A2 (0.57) | CYP1A2SIGMAR1ALDH1A1TSHRMAPT | |
| SCHEMBL9208675 | 0.92 | CYP1A2 (0.63) | CYP1A2SIGMAR1ALDH1A1TSHRNAAA | |
| SCHEMBL22651943 | 0.92 | SIGMAR1 (0.63) | CYP1A2SIGMAR1ALDH1A1TSHRNAAA | |
| SCHEMBL629782 | 0.92 | CYP1A2 (0.61) | CYP1A2SIGMAR1ALDH1A1TSHRMAPT | |
| SCHEMBL12288486 | 0.92 | CYP1A2 (0.61) | CYP1A2SIGMAR1ALDH1A1TSHRMAPT | |
| SCHEMBL22099379 | 0.92 | ALDH1A1 (0.54) | CYP1A2SIGMAR1ALDH1A1TSHRMAPT | |
| Hydrochloric Acid SCHEMBL1677793 | 0.90 | CYP1A2 (0.59) | CYP1A2SIGMAR1ALDH1A1TSHRMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0421441-B1 | Pantothenic acid derivatives | FUJIREBIO KK (JP) | 1995-01-25 | — | — | EP | disclosed |
| US-5120738-A | Cardiovascular disorders | FUJIREBIO INC. (JP) | 1992-06-09 | — | — | US | disclosed |
| EP-0421441-A2 | Pantothenic acid derivatives | FUJIREBIO INC. (JP) | 1991-04-10 | — | — | EP | disclosed |