Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.58 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | IL18 | Q14116 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL4357636 | 0.86 | MAPT (0.61) | MAPTLMNATSHRHTTNLRP3 | |
| SCHEMBL4342392 | 0.84 | MAPT (0.52) | MAPTLMNATSHRHTTNLRP3 | |
| SCHEMBL11054945 | 0.83 | MAPT (0.81) | MAPTLMNATSHRHTTNLRP3 | |
| SCHEMBL4347677 | 0.82 | MAPT (0.50) | MAPTLMNATSHRHTTNLRP3 | |
| SCHEMBL4929006 | 0.82 | MAPT (0.69) | MAPTLMNATSHRHTTNLRP3 | |
| SCHEMBL4351171 | 0.81 | MAPT (0.59) | MAPTLMNATSHRHTTNLRP3 | |
| SCHEMBL4358449 | 0.81 | MAPT (0.69) | MAPTLMNATSHRHTTNLRP3 | |
| SCHEMBL4354887 | 0.80 | MAPT (0.57) | MAPTLMNATSHRHTTNLRP3 | |
| SCHEMBL4348841 | 0.79 | MEN1 (0.57) | MAPTLMNATSHRHTTNLRP3 | |
| SCHEMBL4350139 | 0.78 | SMN1; SMN2 (0.63) | MAPTLMNATSHRHTTMEN1 |
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 |