Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.63 |
| ▸ | CDK9 | P50750 | 1/20 | 0.63 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.61 |
| ▸ | RAB9A | P51151 | 7/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | HTT | P42858 | 4/20 | 0.58 |
| ▸ | MAOA | P21397 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL22465909 | 0.89 | ERN1 (0.51) | SMN1; SMN2TP53EPHX1TSHREPHX2 | |
| SCHEMBL6673220 | 0.88 | CA12 (0.55) | SMN1; SMN2EPHX1KMT2AMAOAMAOB | |
| SCHEMBL4346263 | 0.86 | CA12 (0.56) | SMN1; SMN2EPHX1KMT2ARAB9ANPC1 | |
| SCHEMBL4351601 | 0.82 | MAOA (0.59) | SMN1; SMN2TP53EPHX1TSHREPHX2 | |
| SCHEMBL4348841 | 0.82 | MEN1 (0.57) | SMN1; SMN2EPHX1TSHREPHX2KMT2A | |
| SCHEMBL20804375 | 0.82 | SMN1; SMN2 (0.85) | SMN1; SMN2TP53EPHX1TSHREPHX2 | |
| SCHEMBL4341436 | 0.82 | SMN1; SMN2 (0.68) | SMN1; SMN2TP53EPHX1TSHREPHX2 | |
| SCHEMBL4341294 | 0.81 | ALDH1A1 (0.63) | SMN1; SMN2TP53KMT2ARAB9ANPC1 | |
| SCHEMBL4349130 | 0.80 | RAB9A (0.61) | SMN1; SMN2TP53KMT2ARAB9ANPC1 | |
| SCHEMBL4354644 | 0.80 | DDX3X (0.65) | SMN1; SMN2TP53KMT2ARAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |