Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.59 |
| ▸ | MAOB | P27338 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.59 |
| ▸ | CDK9 | P50750 | 1/20 | 0.59 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.57 |
| ▸ | MEN1 | O00255 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | HTT | P42858 | 5/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 7/20 | 0.57 |
| ▸ | NPC1 | O15118 | 6/20 | 0.57 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6229951 | 0.90 | CA12 (0.60) | SMN1; SMN2TP53TSHRKMT2AMEN1 | |
| SCHEMBL4352985 | 0.88 | CA12 (0.58) | SMN1; SMN2EPHX1KMT2AMEN1MAPT | |
| SCHEMBL4353663 | 0.85 | MEN1 (0.60) | SMN1; SMN2EPHX1EPHX2KMT2AMEN1 | |
| SCHEMBL13772128 | 0.84 | ALOX15 (0.71) | MAOAMAOBSMN1; SMN2TP53EPHX1 | |
| SCHEMBL4345620 | 0.83 | KMT2A (0.59) | MAOAMAOBSMN1; SMN2TP53KMT2A | |
| SCHEMBL4350139 | 0.82 | SMN1; SMN2 (0.63) | MAOAMAOBSMN1; SMN2TP53EPHX1 | |
| SCHEMBL1962890 | 0.82 | NPC1 (0.47) | SMN1; SMN2TP53EPHX2KMT2AMEN1 | |
| SCHEMBL4357696 | 0.82 | NAMPT (0.59) | MAOBSMN1; SMN2TP53KMT2AMEN1 | |
| SCHEMBL4346828 | 0.82 | DDX3X (0.66) | SMN1; SMN2KMT2AMEN1MAPTHTT | |
| SCHEMBL4122903 | 0.81 | NPC1 (0.71) | SMN1; SMN2TP53EPHX1TSHREPHX2 |
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 5 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 |
| WO-2022045365-A1 | POLYPEPTIDE CONTAINING FIBRONECTIN TYPE III DOMAIN SCAFFOLD | 国立大学法人東海国立大学機構 | 2022-03-03 | — | — | WO | disclosed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |