Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | GCGR | P47871 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.49 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.49 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.49 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL26342343 | 0.79 | ALDH1A1 (0.54) | MEN1KMT2ANPC1RAB9AGAA | |
| SCHEMBL10932488 | 0.77 | TSHR (0.53) | MEN1KMT2ANPC1RAB9AGAA | |
| SCHEMBL32675200 | 0.76 | GCGR (0.82) | MEN1KMT2ANPC1RAB9AGAA | |
| SCHEMBL13321124 | 0.76 | GCGR (0.82) | MEN1KMT2ANPC1RAB9AGAA | |
| SCHEMBL3071535 | 0.76 | GCGR (0.82) | MEN1KMT2ANPC1RAB9AGAA | |
| SCHEMBL30826056 | 0.76 | GCGR (0.82) | MEN1KMT2ANPC1RAB9AGAA | |
| SCHEMBL22256337 | 0.76 | ALDH1A1 (0.46) | MEN1KMT2ANPC1RAB9AGAA | |
| SCHEMBL3002180 | 0.74 | KDM4E (0.48) | MEN1KMT2ANPC1RAB9AGAA | |
| Benzoic Acid SCHEMBL18050268 | 0.74 | HDAC8 (0.56) | MEN1KMT2ANPC1RAB9AGAA | |
| SCHEMBL7953362 | 0.74 | GRIN2D (0.62) | MEN1KMT2ANPC1RAB9AGAA |
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 |