Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31206983 | 0.81 | GPR84 (0.42) | MAPTALDH1A1MEN1KMT2AGPR84 | |
| SCHEMBL6130240 | 0.81 | GPR84 (0.42) | MAPTALDH1A1MEN1KMT2AGPR84 | |
| SCHEMBL22229789 | 0.80 | KDM4E (0.37) | MAPTALDH1A1MEN1RAB9AKMT2A | |
| SCHEMBL22229661 | 0.79 | ALOX5 (0.46) | MAPTALDH1A1SMN1; SMN2RAB9AGPR84 | |
| SCHEMBL30364255 | 0.79 | ALOX5 (0.46) | MAPTALDH1A1SMN1; SMN2RAB9AGPR84 | |
| SCHEMBL25485149 | 0.79 | ALDH1A1 (0.38) | MAPTALDH1A1GPR84KDM4ENPSR1 | |
| SCHEMBL22229792 | 0.78 | RPS6KA2 (0.41) | ALDH1A1GPR84NPSR1RPS6KA2L3MBTL1 | |
| SCHEMBL6155355 | 0.78 | ALDH1A1 (0.40) | MAPTALDH1A1SMN1; SMN2MEN1RAB9A | |
| SCHEMBL7050380 | 0.78 | MAPT (0.39) | MAPTALDH1A1SMN1; SMN2MEN1RAB9A | |
| SCHEMBL30497792 | 0.78 | MAPT (0.39) | MAPTALDH1A1SMN1; SMN2MEN1RAB9A |
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 |