Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.45 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 4/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2590439 | 0.86 | GPR119 (0.42) | IDO1GPR119KDM1ATSHRALOX15 | |
| SCHEMBL12541994 | 0.86 | IDO1 (0.48) | IDO1GPR119ABCB1TSHRALOX15 | |
| SCHEMBL15594335 | 0.84 | MAPK1 (0.42) | IDO1GPR119KDM1ATSHRALOX15 | |
| SCHEMBL23046063 | 0.83 | IDO1 (0.50) | IDO1GPR119KDM1AABCB1TSHR | |
| SCHEMBL29890994 | 0.83 | IDO1 (0.50) | IDO1GPR119KDM1AABCB1TSHR | |
| SCHEMBL22545150 | 0.81 | POLB (0.47) | GPR119PTPN11OPRD1OPRK1 | |
| SCHEMBL23169354 | 0.80 | IDO1 (0.42) | IDO1GPR119ABCB1TSHRALOX15 | |
| SCHEMBL12482111 | 0.80 | IDO1 (0.58) | IDO1GPR119ABCB1 | |
| SCHEMBL23500668 | 0.80 | IDO1 (0.46) | IDO1GPR119ABCB1TSHRALOX15 | |
| SCHEMBL23046236 | 0.80 | IDO1 (0.46) | IDO1GPR119ABCB1TSHRALOX15 |
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 |