Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL232677 | 0.78 | IDO1 (0.43) | IDO1PNMTSMN1; SMN2PPARGPPARA | |
| SCHEMBL1922202 | 0.78 | IDO1 (0.46) | IDO1SMN1; SMN2RAB9ANPC1SLC6A4 | |
| SCHEMBL9480317 | 0.77 | IDO1 (0.50) | IDO1PNMTSMN1; SMN2PPARGPPARA | |
| SCHEMBL30461921 | 0.77 | SLC6A2 (0.50) | IDO1PNMTSMN1; SMN2PPARGPPARA | |
| SCHEMBL16298056 | 0.77 | SLC6A2 (0.50) | IDO1PNMTSMN1; SMN2PPARGPPARA | |
| SCHEMBL14237917 | 0.77 | SLC6A2 (0.50) | IDO1PNMTSMN1; SMN2PPARGPPARA | |
| SCHEMBL16463838 | 0.77 | SLC6A2 (0.46) | IDO1PNMTSMN1; SMN2PPARGPPARA | |
| SCHEMBL4764946 | 0.77 | ALDH1A1 (0.41) | IDO1SMN1; SMN2PPARGPPARATAAR1 | |
| SCHEMBL14208189 | 0.77 | SLC6A2 (0.46) | IDO1PNMTSMN1; SMN2PPARGPPARA | |
| SCHEMBL5238119 | 0.76 | MEN1 (0.32) | MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3755699-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | Relay Therapeutics, Inc. (US) | 2020-12-30 | — | — | EP | disclosed |
| WO-2019165073-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-08-29 | — | — | WO | disclosed |