Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | DDX3X | O00571 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | NPY2R | P49146 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6228505 | 0.87 | MAPT (0.54) | KMT2AALDH1A1MAPTRAB9APOLB | |
| SCHEMBL4353772 | 0.85 | KMT2A (0.56) | KMT2AALDH1A1LMNAMAPTHTT | |
| SCHEMBL4354644 | 0.83 | DDX3X (0.65) | KMT2AALDH1A1MAPTHTTALOX15 | |
| SCHEMBL4353920 | 0.81 | DHODH (0.60) | KMT2AALDH1A1LMNAMAPTHTT | |
| SCHEMBL4343772 | 0.81 | KMT2A (0.55) | KMT2AALDH1A1LMNAMAPTHTT | |
| SCHEMBL4351694 | 0.81 | CYP3A4 (0.47) | KMT2AALDH1A1LMNAMAPTHTT | |
| SCHEMBL30051979 | 0.79 | MAPT (0.67) | KMT2AALDH1A1LMNAMAPTHTT | |
| SCHEMBL17438146 | 0.79 | LMNA (0.66) | KMT2AALDH1A1LMNAMAPTHTT | |
| SCHEMBL4346830 | 0.79 | LMNA (0.44) | KMT2AALDH1A1LMNAMAPTHTT | |
| SCHEMBL4350139 | 0.78 | SMN1; SMN2 (0.63) | KMT2AALDH1A1LMNAMAPTHTT |
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 3 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 |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |