Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 14/20 | 0.53 |
| ▸ | NPC1 | O15118 | 13/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | GFER | P55789 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.49 |
| ▸ | RELA | Q04206 | 2/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 5/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL31731985 | 0.82 | RAB9A (0.67) | RAB9ANPC1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL3076524 | 0.76 | NPC1 (0.63) | PDE10ARAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL29614829 | 0.76 | NPC1 (0.63) | PDE10ARAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL29942654 | 0.76 | NPC1 (0.63) | PDE10ARAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL29966674 | 0.76 | NPC1 (0.63) | PDE10ARAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL10515978 | 0.75 | RAB9A (0.54) | PDE10ARAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL30944801 | 0.75 | RAB9A (0.54) | PDE10ARAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL15033460 | 0.74 | PDE10A (0.55) | PDE10ARAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL7457993 | 0.74 | PDE10A (1.00) | PDE10ARAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL13325909 | 0.73 | RAB9A (0.83) | RAB9ANPC1SMN1; SMN2KDM4EPOLB |
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-2019183367-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |