Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.51 |
| ▸ | APEX1 | P27695 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23978699 | 0.88 | NPC1 (0.59) | NPC1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL23978689 | 0.87 | NPC1 (0.55) | NPC1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL14614068 | 0.84 | NPC1 (0.55) | NPC1MEN1KMT2AAPEX1HCRTR1 | |
| SCHEMBL23979143 | 0.83 | EPHX2 (0.59) | MEN1KMT2AAPEX1HPGDTSHR | |
| SCHEMBL30279402 | 0.82 | NPC1 (0.50) | NPC1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL5332860 | 0.81 | NPC1 (0.72) | NPC1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL3472475 | 0.81 | NPC1 (0.54) | NPC1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL3461102 | 0.80 | NPC1 (0.70) | NPC1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL30462959 | 0.79 | NPC1 (0.61) | NPC1MEN1KMT2ATDP1APEX1 | |
| SCHEMBL13947495 | 0.79 | NPC1 (0.61) | NPC1MEN1KMT2ATDP1APEX1 |
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-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |