Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 8/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29233359 | 0.81 | AKR1B1 (0.43) | IDO1CYP19A1TDP1L3MBTL1ELANE | |
| SCHEMBL10709613 | 0.80 | IDO1 (0.50) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL8648039 | 0.79 | IDO1 (0.44) | IDO1NOS3NOS1NOS2CYP19A1 | |
| SCHEMBL7693742 | 0.75 | CYP19A1 (0.49) | CYP19A1L3MBTL1ELANE | |
| SCHEMBL1588811 | 0.74 | KMT2A (0.50) | L3MBTL1CYP2C19LMNAHTTRAB9A | |
| SCHEMBL1588868 | 0.73 | POLB (0.41) | CYP19A1L3MBTL1ELANELMNAHTT | |
| SCHEMBL5132602 | 0.73 | ELANE (0.52) | CYP19A1TDP1L3MBTL1ELANEATM | |
| SCHEMBL6658962 | 0.73 | ELANE (0.52) | CYP19A1TDP1L3MBTL1ELANEATM | |
| SCHEMBL163890 | 0.73 | CA12 (0.53) | IDO1NOS3NOS1NOS2TDP1 | |
| Propane SCHEMBL6908233 | 0.73 | ELANE (0.67) | TDP1L3MBTL1ELANEATMHTT |
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-5744635-A | REACTING THE CORRESPONDING HALOGEN SUBSTITUTED COMPOUND WITH AN ORGANOMETALLIC COMPOUND | Uclaf, Roussel (FR) | 1998-04-28 | — | — | US | disclosed |