Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.38 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.38 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4346980 | 0.88 | CA2 (0.48) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL4344569 | 0.83 | LMNA (0.41) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL4351425 | 0.81 | EPHX2 (0.37) | EPHX1 | |
| SCHEMBL4354101 | 0.81 | SMN1; SMN2 (0.39) | NPC1RAB9AMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4345462 | 0.80 | NPC1 (0.39) | NPC1RAB9AKMT2AHPGDLMNA | |
| SCHEMBL4347111 | 0.78 | CA2 (0.58) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL4349474 | 0.77 | EPHX1 (0.58) | CA1CA2NPC1RAB9AMEN1 | |
| SCHEMBL4349030 | 0.77 | RAB9A (0.49) | CA1CA2NPC1RAB9AMEN1 | |
| SCHEMBL4351937 | 0.77 | MAPK1 (0.33) | MEN1KMT2AALDH1A1GAA | |
| SCHEMBL4354911 | 0.76 | PDE2A (0.40) | MEN1KMT2AOPRM1 |
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 |