Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15121796 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRF2IKBKB | |
| SCHEMBL27766699 | 0.82 | ALDH1A1 (0.57) | ALDH1A1HPGDTSHRKDM4ENPC1 | |
| SCHEMBL27654995 | 0.77 | ALDH1A1 (0.61) | ALDH1A1HPGDTSHRKDM4ENPC1 | |
| SCHEMBL8809337 | 0.77 | F2 (0.40) | ALDH1A1HPGDTSHRF2IKBKB | |
| SCHEMBL289975 | 0.74 | ALDH1A1 (0.63) | ALDH1A1HPGDTSHRKDM4ENPC1 | |
| SCHEMBL9460236 | 0.72 | ALDH1A1 (0.45) | ALDH1A1HPGDTSHRF2IKBKB | |
| SCHEMBL27768354 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HPGDTSHRKDM4EPOLB | |
| SCHEMBL3614700 | 0.71 | ALDH1A1 (0.38) | ALDH1A1HPGDTSHRKDM4ENPC1 | |
| SCHEMBL2514326 | 0.71 | ALDH1A1 (1.00) | ALDH1A1HPGDTSHRKDM4ENPC1 | |
| Formaldehyde SCHEMBL28138631 | 0.71 | ALDH1A1 (0.59) | ALDH1A1HPGDTSHRKDM4ENPC1 |
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-2064209-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | AstraZeneca AB (SE) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008020222-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | disclosed |