Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPX4 | P36969 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11521735 | 1.00 | GPX4 (0.42) | GPX4CES2CES1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11523151 | 0.85 | GPX4 (0.43) | GPX4ALDH1A1SMN1; SMN2RAB9ATAAR1 | |
| SCHEMBL11523282 | 0.79 | GPX4 (0.39) | GPX4CES2CES1ALDH1A1 | |
| SCHEMBL11524953 | 0.79 | GPX4 (0.39) | GPX4CES2CES1ALDH1A1 | |
| SCHEMBL11742782 | 0.79 | GPX4 (0.39) | GPX4CES2CES1ALDH1A1 | |
| SCHEMBL11522399 | 0.79 | GPX4 (0.39) | GPX4CES2CES1ALDH1A1 | |
| SCHEMBL11522884 | 0.78 | PTGS2 (0.43) | GPX4ALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL10994126 | 0.76 | RAB9A (0.55) | GPX4ALDH1A1RAB9ALMNAHTT | |
| SCHEMBL11737460 | 0.74 | GPX4 (0.39) | GPX4ALDH1A1SMN1; SMN2RAB9ATAAR1 | |
| SCHEMBL11521562 | 0.73 | ALDH1A1 (0.35) | GPX4ALDH1A1SMN1; SMN2LMNAMAPT |
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-4172079-A | Preparation of 4-nitroisoxazoles | TEXACO INC. (US) | 1979-10-23 | — | — | US | disclosed |