Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.70 |
| ▸ | RAB9A | P51151 | 6/20 | 0.70 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | IDH1 | O75874 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.48 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4342327 | 0.87 | NPC1 (0.69) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4341716 | 0.85 | RAB9A (0.62) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4357807 | 0.85 | MAPT (0.54) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4351119 | 0.81 | CA2 (0.60) | NPC1RAB9AEPHX2MAPTHSD17B2 | |
| SCHEMBL4356006 | 0.81 | NPC1 (0.57) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4349972 | 0.80 | RAB9A (0.66) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4354116 | 0.79 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4360021 | 0.79 | DDX3X (0.66) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL26485875 | 0.78 | RAB9A (0.68) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4359559 | 0.77 | SMN1; SMN2 (0.56) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |