Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.45 |
| ▸ | NAAA | Q02083 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4346130 | 0.81 | CA1 (0.51) | TRPV1NAAAKMT2AMEN1MAPT | |
| SCHEMBL4350102 | 0.81 | TRPV1 (0.49) | TRPV1NAAAKMT2AMEN1MAPT | |
| SCHEMBL4347093 | 0.81 | RAB9A (0.47) | TRPV1KMT2ALMNAMEN1HPGD | |
| SCHEMBL4357530 | 0.77 | ALDH1A1 (0.42) | HCAR3KMT2ALMNAMEN1TP53 | |
| SCHEMBL4347023 | 0.76 | KMT2A (0.53) | KMT2AMEN1HPGDPOLBMAPT | |
| SCHEMBL8598927 | 0.76 | EPHX1 (0.57) | MAPTALDH1A1 | |
| SCHEMBL8601321 | 0.76 | EPHX1 (0.57) | MAPTALDH1A1 | |
| SCHEMBL4345611 | 0.75 | MAPT (0.42) | KMT2ALMNAMEN1TP53HPGD | |
| SCHEMBL4354492 | 0.75 | EPHX1 (0.55) | KMT2ALMNAMEN1MAPTALDH1A1 | |
| SCHEMBL4341578 | 0.73 | POLB (0.43) | KMT2ALMNAMEN1POLBMAPT |
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 |