Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.37 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.37 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4346608 | 0.87 | TSHR (0.47) | MEN1MAPTKMT2AALDH1A1GAA | |
| SCHEMBL4342472 | 0.85 | P2RY1 (0.41) | MEN1MAPTKMT2ANPSR1POLB | |
| SCHEMBL4348034 | 0.84 | MEN1 (0.38) | MEN1MAPTKMT2ANPSR1POLB | |
| SCHEMBL4355356 | 0.81 | HSPD1 (0.49) | MEN1MAPTKMT2ANPSR1ALDH1A1 | |
| SCHEMBL4350724 | 0.76 | MEN1 (0.58) | MEN1MAPTKMT2ANPSR1POLB | |
| SCHEMBL11194705 | 0.76 | P2RX1 (0.42) | MEN1MAPTKMT2ANPSR1POLB | |
| SCHEMBL4341619 | 0.75 | P2RX1 (0.46) | MEN1MAPTKMT2ANPSR1POLB | |
| SCHEMBL4353865 | 0.75 | EPHX2 (0.46) | MEN1MAPTKMT2ANPSR1RAB9A | |
| SCHEMBL4357681 | 0.75 | KMT2A (0.36) | MEN1MAPTKMT2ANPSR1POLB | |
| SCHEMBL4354080 | 0.75 | ALDH1A1 (0.36) | MEN1MAPTKMT2ANPSR1L3MBTL1 |
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 2 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 |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |