Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL570920 | 0.85 | TDP1 (0.60) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL29360475 | 0.85 | TDP1 (0.60) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL9044225 | 0.85 | L3MBTL1 (0.61) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL822797 | 0.85 | NPC1 (0.57) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL27980680 | 0.84 | NPC1 (0.56) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL28864124 | 0.84 | L3MBTL1 (0.59) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| Ammonia Solution, Strong SCHEMBL27753074 | 0.84 | TDP1 (0.59) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL30938329 | 0.82 | PARP1 (0.56) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL2341314 | 0.82 | NPC1 (0.55) | NPC1RAB9AADRB2ADRB1ADRB3 | |
| SCHEMBL13773348 | 0.82 | PARP1 (0.56) | NPC1RAB9AADRB2ADRB1ADRB3 |
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-2021011778-A1 | SMALL MOLECULE INHIBITORS OF KU70/80 AND USES THEREOF | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2021-01-21 | — | — | WO | disclosed |