Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | GALR2 | O43603 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | XBP1 | P17861 | 1/20 | 0.50 |
| ▸ | CCR6 | P51684 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9191934 | 0.85 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2LMNAHPGDPOLB | |
| SCHEMBL22391679 | 0.85 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAHPGDPOLB | |
| SCHEMBL647368 | 0.84 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2LMNAHPGDCA12 | |
| SCHEMBL1611630 | 0.82 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2LMNAHPGDPOLB | |
| SCHEMBL28902376 | 0.81 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2LMNAHPGDPOLB | |
| SCHEMBL297058 | 0.80 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2LMNAHPGDPOLB | |
| SCHEMBL3481205 | 0.80 | TSHR (0.64) | ALDH1A1SMN1; SMN2LMNAHPGDPOLB | |
| SCHEMBL527681 | 0.79 | TSHR (0.62) | ALDH1A1POLBTSHRCRHBPCRHR2 | |
| SCHEMBL5115555 | 0.79 | CA12 (0.62) | ALDH1A1SMN1; SMN2LMNAHPGDPOLB | |
| SCHEMBL28731066 | 0.79 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAHPGDPOLB |
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-5329041-A | For herbicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-07-12 | — | — | US | disclosed |
| WO-1992012957-A1 | TRISUBSTITUTED BENZOIC ACID INTERMEDIATES | NGUYEN NHAN H (US) | 1992-08-06 | — | — | WO | disclosed |
| US-5110979-A | Trisubstituted benzoic acid intermediates | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-05 | — | — | US | disclosed |