Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9068773 | 0.85 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2D6PRMT1CYP2C19 | |
| SCHEMBL7270524 | 0.81 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6PRMT1CYP2C19 | |
| SCHEMBL6574396 | 0.80 | IDO1 (0.46) | ALDH1A1L3MBTL1NPC1RAB9AIDO1 | |
| SCHEMBL9712251 | 0.76 | MMP8 (0.52) | CYP1A2CYP3A4CYP2D6PRMT1ALDH1A1 | |
| SCHEMBL9301235 | 0.75 | CYP2C19 (0.47) | CYP1A2CYP3A4CYP2D6PRMT1CYP2C19 | |
| SCHEMBL11388728 | 0.75 | L3MBTL1 (0.49) | ALDH1A1L3MBTL1TDP1CES2CES1 | |
| SCHEMBL9784977 | 0.75 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6PRMT1CYP2C19 | |
| SCHEMBL6431176 | 0.74 | CYP3A4 (0.59) | CYP1A2CYP3A4CYP2D6PRMT1CYP2C19 | |
| SCHEMBL5680420 | 0.73 | CYP2D6 (0.63) | CYP1A2CYP3A4CYP2D6PRMT1ALDH1A1 | |
| SCHEMBL9069763 | 0.73 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6PRMT1CYP2C19 |
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-1992019274-A1 | TECHNETIUM CHELATES TO BE USED FOR DETERMINING THE RENAL FUNCTION | MALLINCKRODT MEDICAL, INC. (US) | 1992-11-12 | — | — | WO | disclosed |