Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | TOP2A | P11388 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CTH | P32929 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL5485156 | 0.87 | NR4A1 (0.49) | NR4A1MAOATOP2ACYP1A2CYP2C19 | |
| SCHEMBL23934773 | 0.87 | NR4A1 (0.49) | NR4A1MAOATOP2ACYP1A2CYP2C19 | |
| SCHEMBL12470551 | 0.83 | NR4A1 (0.45) | NR4A1MAOATOP2ACYP1A2CYP2C19 | |
| SCHEMBL9914143 | 0.79 | NR4A1 (0.55) | NR4A1MAOATOP2AMEN1NPC1 | |
| SCHEMBL10319210 | 0.79 | NR4A1 (0.55) | NR4A1MAOATOP2AMEN1NPC1 | |
| SCHEMBL16471855 | 0.76 | NR4A1 (0.52) | NR4A1MAOATOP2AMEN1NPC1 | |
| SCHEMBL28198836 | 0.75 | CYP1A2 (0.44) | NR4A1MAOATOP2ACYP1A2CYP2C19 | |
| SCHEMBL3731779 | 0.75 | NR4A1 (0.50) | NR4A1MAOATOP2AMEN1NPC1 | |
| SCHEMBL11227025 | 0.75 | NR4A1 (0.50) | NR4A1MAOATOP2AMEN1NPC1 | |
| SCHEMBL4889496 | 0.75 | NR4A1 (0.50) | NR4A1MAOATOP2AMEN1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012109343-A2 | IRON COMPLEXES AND METHODS FOR POLYMERIZATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-08-16 | — | — | WO | disclosed |