Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS27 | P42677 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11267417 | 1.00 | RPS27 (0.35) | RPS27MAPK8MAPK9CES2CES1 | |
| SCHEMBL12968418 | 0.79 | TSHR (0.44) | CES2CES1AKR1B1TSHRALDH1A1 | |
| SCHEMBL11271470 | 0.78 | ALDH1A1 (0.42) | CES2CES1AKR1B1TSHRALDH1A1 | |
| SCHEMBL28992698 | 0.75 | POLB (0.36) | CES2CES1AKR1B1TSHRPOLB | |
| SCHEMBL11783874 | 0.74 | CES1 (0.41) | CES2CES1AKR1B1TSHRALDH1A1 | |
| SCHEMBL11131332 | 0.74 | CES1 (0.41) | CES2CES1AKR1B1TSHRALDH1A1 | |
| SCHEMBL11783878 | 0.74 | CES1 (0.41) | CES2CES1AKR1B1TSHRALDH1A1 | |
| SCHEMBL3865877 | 0.74 | CES2 (0.38) | CES2CES1AKR1B1TSHRALDH1A1 | |
| SCHEMBL11759060 | 0.73 | CES1 (0.40) | CES2CES1AKR1B1TSHRALDH1A1 | |
| SCHEMBL11759050 | 0.73 | CES1 (0.40) | CES2CES1AKR1B1TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4319024-A | ALKYLATION | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |