Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | HTT | P42858 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL3878871 | 0.79 | MAPT (0.61) | ALDH1A1HIF1AVCAM1MAPTLMNA | |
| SCHEMBL29559175 | 0.79 | MAPT (0.61) | ALDH1A1HIF1AVCAM1MAPTLMNA | |
| SCHEMBL20274146 | 0.78 | AR (0.48) | ALDH1A1MAPTLMNAHTTNPSR1 | |
| SCHEMBL1241082 | 0.77 | CHRM5 (0.39) | — | |
| SCHEMBL15562561 | 0.76 | ALDH1A1 (0.40) | ALDH1A1HIF1AVCAM1MAPTLMNA | |
| SCHEMBL1241520 | 0.76 | S1PR3 (0.39) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL1241993 | 0.74 | S1PR3 (0.39) | GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6152063 | 0.73 | ALDH1A1 (0.53) | ALDH1A1HIF1AVCAM1MAPTLMNA | |
| SCHEMBL6620664 | 0.73 | HTT (0.60) | ALDH1A1MAPTLMNAHTTNPSR1 | |
| SCHEMBL11311522 | 0.73 | ALDH1A1 (0.49) | ALDH1A1HIF1AVCAM1MAPTLMNA |
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-2015052675-A1 | SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2015-04-16 | — | — | WO | disclosed |