Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4356041 | 0.82 | EPHX1 (0.57) | HTTALDH1A1 | |
| SCHEMBL4354051 | 0.82 | SMN1; SMN2 (0.51) | SMN1; SMN2LMNAHPGDGAAKMT2A | |
| SCHEMBL4348481 | 0.82 | SMN1; SMN2 (0.57) | SMN1; SMN2LMNAHPGDGAAKMT2A | |
| SCHEMBL8602154 | 0.81 | EPHX1 (0.60) | HTTALDH1A1 | |
| SCHEMBL8603314 | 0.81 | EPHX1 (0.60) | HTTALDH1A1 | |
| SCHEMBL14433842 | 0.78 | SMN1; SMN2 (0.65) | SMN1; SMN2LMNAHPGDGAAKMT2A | |
| SCHEMBL8438232 | 0.75 | LMNA (0.65) | SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8443237 | 0.75 | LMNA (0.65) | SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8391699 | 0.75 | LMNA (0.65) | SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8440594 | 0.75 | LMNA (0.65) | SMN1; SMN2LMNACYP1A2CYP2C9CYP2C19 |
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 3 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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |