Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10293457 | 0.88 | ALDH1A1 (0.70) | ALDH1A1LMNAKDM4ESMN1; SMN2MAPT | |
| SCHEMBL13768238 | 0.82 | ALDH1A1 (0.55) | ALDH1A1LMNASMN1; SMN2MAPK1MAPT | |
| SCHEMBL10293479 | 0.81 | ALDH1A1 (0.48) | ALDH1A1LMNAKDM4ESMN1; SMN2HPGD | |
| SCHEMBL10293427 | 0.79 | KDM4E (0.46) | ALDH1A1LMNAKDM4ESMN1; SMN2HPGD | |
| SCHEMBL13095900 | 0.75 | ALDH1A1 (0.68) | ALDH1A1LMNASMN1; SMN2HPGDMAPT | |
| SCHEMBL4159162 | 0.73 | ALDH1A1 (0.76) | ALDH1A1LMNAKDM4ESMN1; SMN2MAPT | |
| SCHEMBL425317 | 0.70 | ALDH1A1 (0.71) | ALDH1A1LMNASMN1; SMN2MAPK1MAPT | |
| SCHEMBL853688 | 0.69 | ALDH1A1 (0.69) | ALDH1A1LMNAKDM4ESMN1; SMN2HPGD | |
| SCHEMBL28143334 | 0.69 | ALDH1A1 (0.79) | ALDH1A1LMNAKDM4ESMN1; SMN2NPSR1 | |
| SCHEMBL13768474 | 0.69 | ALDH1A1 (0.45) | ALDH1A1LMNAKDM4EHPGDMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2238142-B1 | Macrocyclic indoles as hepatitis c virus inhibitors | JANSSEN R & D IRELAND (IE) | 2012-07-04 | — | — | EP | disclosed |