Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.48 |
| ▸ | CCR9 | P51686 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5489381 | 0.83 | ALDH1A1 (0.71) | IDO1ALDH1A1NPC1GAARAB9A | |
| SCHEMBL24032613 | 0.83 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2KDM4ENPC1GAA | |
| SCHEMBL13055884 | 0.83 | IDO1 (0.57) | IDO1ALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL22922181 | 0.82 | CYP4F2 (0.59) | IDO1ALDH1A1LMNAHTT | |
| SCHEMBL343527 | 0.82 | IDO1 (0.56) | IDO1ALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL2303459 | 0.82 | CA2 (0.65) | IDO1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL30898772 | 0.82 | IDO1 (0.56) | IDO1ALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL833553 | 0.81 | IDO1 (0.54) | IDO1ALDH1A1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL28713472 | 0.79 | ALDH1A1 (0.57) | IDO1ALDH1A1SMN1; SMN2GAALMNA | |
| SCHEMBL3367245 | 0.79 | IDO1 (0.59) | IDO1ALDH1A1KDM4ECCR9HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010078393-A1 | KINASE INHIBITORS | ALLERGAN, INC. (US) | 2010-07-08 | — | — | WO | disclosed |
| EP-2099757-A2 | SULFOXIMINES AS KINASE INHIBITORS | Allergan, Inc. (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008061236-A2 | SULFOXIMINES AS KINASE INHIBITORS | ALLERGAN, INC. (US) | 2008-05-22 | — | — | WO | disclosed |