Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12475197 | 0.86 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2TP53LMNAMLYCD | |
| SCHEMBL26029270 | 0.81 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL10961451 | 0.77 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL2543474 | 0.77 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL10048323 | 0.76 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL1114982 | 0.75 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2TP53LMNAMLYCD | |
| SCHEMBL12856049 | 0.74 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2TP53LMNAMLYCD | |
| SCHEMBL9321117 | 0.74 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2TP53LMNALTB4R2 | |
| SCHEMBL11802073 | 0.74 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2TP53LMNAGLA | |
| SCHEMBL14229162 | 0.73 | TP53 (0.50) | ALDH1A1SMN1; SMN2TP53LMNALTB4R2 |
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-2673281-A1 | BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF | Rempex Pharmaceuticals, Inc. (US) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012109164-A1 | BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF | REMPEX PHARMACEUTICALS, INC. (US) | 2012-08-16 | — | — | WO | disclosed |