Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | WNT3A | P56704 | 1/20 | 0.49 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL25860112 | 1.00 | NPC1 (0.53) | NPC1RAB9APKMPOLBCYP1A1 | |
| SCHEMBL25859862 | 1.00 | NPC1 (0.53) | NPC1RAB9APKMPOLBCYP1A1 | |
| SCHEMBL25859863 | 0.86 | CASP3 (0.50) | NPC1RAB9APOLBCYP1A1CYP1A2 | |
| SCHEMBL25860114 | 0.86 | CASP3 (0.50) | NPC1RAB9APOLBCYP1A1CYP1A2 | |
| SCHEMBL25859487 | 0.86 | HPGD (0.55) | NPC1RAB9APKMPOLBCTNNB1 | |
| SCHEMBL25859869 | 0.86 | HPGD (0.55) | NPC1RAB9APKMPOLBCTNNB1 | |
| SCHEMBL24883967 | 0.81 | HPGD (0.57) | NPC1RAB9APKMPOLBCYP1A1 | |
| SCHEMBL25859488 | 0.80 | RAB9A (0.50) | NPC1RAB9APKMCTNNB1WNT3A | |
| SCHEMBL25859861 | 0.80 | RAB9A (0.50) | NPC1RAB9APKMCTNNB1WNT3A | |
| SCHEMBL25171141 | 0.78 | ALDH1A1 (0.55) | NPC1RAB9APKMCTNNB1WNT3A |
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-2023137453-A1 | PRODRUGS OF 3,4-METHYLENEDIOXY-N-METHCATHINONE AND USES THEREOF | TERRAN BIOSCIENCES INC. (US) | 2023-07-20 | — | — | WO | disclosed |