Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10932488 | 0.80 | TSHR (0.53) | ALDH1A1HPGDL3MBTL1HTTTSHR | |
| SCHEMBL26024945 | 0.79 | L3MBTL1 (0.40) | ALDH1A1HPGDL3MBTL1LMNAHTT | |
| SCHEMBL22256459 | 0.76 | MEN1 (0.55) | ALDH1A1HPGDLMNATSHRMAPT | |
| SCHEMBL14327772 | 0.75 | PLA2G7 (0.53) | ALDH1A1HPGDL3MBTL1LMNATSHR | |
| SCHEMBL3077773 | 0.75 | PLA2G7 (0.53) | ALDH1A1HPGDL3MBTL1LMNATSHR | |
| SCHEMBL19803857 | 0.75 | PLA2G7 (0.48) | ALDH1A1TSHRMAPTTDP1CYP1A2 | |
| SCHEMBL31005091 | 0.75 | RAB9A (0.63) | ALDH1A1L3MBTL1LMNAHTTMAPT | |
| SCHEMBL28825945 | 0.72 | CES1 (0.44) | ALDH1A1HPGDL3MBTL1TSHRMAPT | |
| SCHEMBL13341652 | 0.72 | CES1 (0.44) | ALDH1A1HPGDL3MBTL1TSHRMAPT | |
| Benzoic Acid SCHEMBL19875736 | 0.72 | TSHR (0.56) | ALDH1A1HPGDLMNAHTTTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| US-20200234798-A1 | EXTRAPOLATIVE PREDICTION OF ENANTIOSELECTIVITY ENABLED BY COMPUTER-DRIVEN WORKFLOW, NEW MOLECULAR REPRESENTATIONS AND MACHINE LEARNING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2020-07-23 | — | — | US | disclosed |