Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL395053 | 0.71 | HTT (0.59) | HTTCYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL4258367 | 0.70 | HTT (0.59) | HTTCYP11B1CYP11B2NPC1ALDH1A1 | |
| SCHEMBL30648402 | 0.69 | CYP11B1 (0.49) | HTTCYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL1723432 | 0.69 | DHFR (0.44) | DHFRALDH1A1 | |
| SCHEMBL4475827 | 0.68 | DHFR (0.46) | DHFRCYP11B1CYP11B2ALDH1A1MAPT | |
| SCHEMBL29114864 | 0.68 | DHFR (0.51) | DHFR | |
| SCHEMBL30648377 | 0.68 | EPHX2 (0.47) | HTTCYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL30648398 | 0.68 | KIF11 (0.46) | HTTCYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL9732854 | 0.67 | PDE3B (0.82) | HTTCYP11B1CYP11B2ALDH1A1LMNA | |
| SCHEMBL3956743 | 0.67 | PDE3B (0.50) | DHFRPDE3BPDE3AMAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008118823-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS, INC. (US) | 2008-10-02 | — | — | WO | disclosed |