Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3593017 | 0.79 | CYP11B1 (0.43) | TDP1NPC1RAB9ACYP11B1CYP11B2 | |
| SCHEMBL3967034 | 0.77 | CYP11B1 (0.43) | CYP11B1CYP11B2CYP3A4 | |
| SCHEMBL17981899 | 0.77 | NPC1 (0.44) | HDAC4HDAC6TDP1NPC1RAB9A | |
| SCHEMBL3599665 | 0.77 | CYP1A2 (0.51) | HDAC4HDAC6NPC1RAB9ACYP11B1 | |
| Formic Acid SCHEMBL6366129 | 0.76 | IDO1 (0.53) | HDAC4HDAC6TDP1NPC1RAB9A | |
| SCHEMBL190915 | 0.75 | ALDH1A1 (0.65) | IDO1AGXTHTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL34413 | 0.75 | IDO1 (0.67) | TDP1IDO1AGXTHTTSMN1; SMN2 | |
| SCHEMBL3961229 | 0.74 | IDO1 (0.52) | TDP1NPC1RAB9AIDO1AGXT | |
| Potassium SCHEMBL1477050 | 0.73 | IDO1 (0.64) | TDP1IDO1AGXTHTTSMN1; SMN2 | |
| Methoxymethane SCHEMBL28823290 | 0.73 | IDO1 (0.64) | TDP1IDO1AGXTHTTSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2125778-A1 | CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY | Millennium Pharmaceuticals, Inc. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079277-A1 | CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |