Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NEK2 | P51955 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2990041 | 0.84 | TSHR (0.54) | PYCR1TSHRCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL19220492 | 0.82 | TSHR (0.39) | PYCR1TSHRCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL14039618 | 0.79 | TSHR (0.42) | TSHRNPC1RAB9ACYP1A2CYP2C19 | |
| SCHEMBL14039455 | 0.78 | ALKBH5 (0.39) | TSHRCYP1A2CYP2C19CYP3A4HPGD | |
| SCHEMBL16509335 | 0.75 | ALDH1A1 (0.46) | HSP90AA1NPC1TNFRAB9ANOD1 | |
| SCHEMBL14039758 | 0.75 | ALDH1A1 (0.42) | CYP1A2CYP2C19CYP3A4HPGDALDH1A1 | |
| SCHEMBL14476054 | 0.73 | TAAR1 (0.51) | PYCR1SIGMAR1 | |
| SCHEMBL2478787 | 0.73 | MAOA (0.44) | TSHRNPC1TNFRAB9ANOD1 | |
| SCHEMBL5304881 | 0.73 | FOLH1 (0.53) | RAB9AALDH1A1LMNA | |
| SCHEMBL3929990 | 0.73 | LOXL2 (0.59) | RAB9AHPGDALDH1A1MAPT |
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-2008129069-A1 | INHIBITORS OF PROTEIN KINASES | INGENIUM PHARMACEUTICALS GMBH (DE) | 2008-10-30 | — | — | WO | disclosed |