Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | ACP1 | P24666 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4354002 | 0.82 | MEN1 (0.59) | HTTMAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4341979 | 0.82 | POLB (0.54) | POLBHTTMAPTMEN1KMT2A | |
| SCHEMBL4350322 | 0.82 | POLB (0.50) | POLBHTTMAPTMEN1KMT2A | |
| SCHEMBL4355870 | 0.82 | HTT (0.56) | POLBHTTMAPTMEN1KMT2A | |
| SCHEMBL6568509 | 0.77 | POLB (0.52) | POLBHTTMAPTMEN1KMT2A | |
| SCHEMBL4344549 | 0.76 | POLB (0.48) | POLBHTTMAPTMEN1KMT2A | |
| SCHEMBL6565514 | 0.75 | POLB (0.66) | POLBHTTMAPTMEN1KMT2A | |
| SCHEMBL10597378 | 0.74 | SMN1; SMN2 (0.62) | POLBHTTMAPTMEN1KMT2A | |
| SCHEMBL4344547 | 0.74 | POLB (0.46) | POLBHTTMAPTMEN1KMT2A | |
| SCHEMBL6526431 | 0.74 | HTT (0.47) | POLBHTTMAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |