Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 2/20 | 0.58 |
| ▸ | IMPDH1 | P20839 | 2/20 | 0.58 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | CASP7 | P55210 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6566909 | 0.85 | KMT2A (0.51) | IMPDH2IMPDH1TRPV1KMT2AMEN1 | |
| SCHEMBL6567640 | 0.84 | HTT (0.65) | IMPDH2IMPDH1KMT2AMEN1NPC1 | |
| SCHEMBL5726240 | 0.79 | SMN1; SMN2 (0.63) | TRPV1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL4689726 | 0.79 | ALDH1A1 (0.58) | IMPDH2IMPDH1TRPV1KMT2AMEN1 | |
| SCHEMBL7284429 | 0.79 | TUBB4A (0.59) | IMPDH2IMPDH1TRPV1KMT2AMEN1 | |
| SCHEMBL3041887 | 0.79 | ALDH1A1 (0.58) | IMPDH2IMPDH1TRPV1KMT2AMEN1 | |
| SCHEMBL5692466 | 0.78 | SMN1; SMN2 (0.57) | IMPDH2IMPDH1TRPV1KMT2AMEN1 | |
| SCHEMBL12403816 | 0.77 | TUBB1 (0.49) | IMPDH2IMPDH1TRPV1KMT2AMEN1 | |
| SCHEMBL9823917 | 0.77 | CYP1A2 (0.77) | IMPDH2IMPDH1TRPV1KMT2AMEN1 | |
| SCHEMBL13756247 | 0.76 | RAB9A (0.81) | TRPV1KMT2AMEN1NPC1RAB9A |
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-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 |