Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 7/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13398589 | 0.84 | EPHX1 (0.47) | ALDH1A1ATMRAB9AMAPTNPSR1 | |
| SCHEMBL8407694 | 0.82 | ALDH1A1 (0.44) | ALDH1A1ATMRAB9AMAPTNPSR1 | |
| SCHEMBL28836165 | 0.77 | HCAR2 (0.50) | ALDH1A1ATMRAB9AMAPTTSHR | |
| SCHEMBL9596409 | 0.77 | ALDH1A1 (0.56) | ALDH1A1ATMRAB9AMAPTNPSR1 | |
| SCHEMBL9396263 | 0.77 | ALDH1A1 (0.50) | ALDH1A1ATMRAB9AMAPTTSHR | |
| Hydrochloric Acid SCHEMBL11686455 | 0.76 | HCAR2 (0.48) | ALDH1A1ATMRAB9AMAPTTSHR | |
| SCHEMBL11686451 | 0.76 | ALDH1A1 (0.48) | ALDH1A1ATMRAB9AMAPTTSHR | |
| SCHEMBL288939 | 0.75 | ALDH1A1 (0.52) | ALDH1A1ATMRAB9AMAPTNPSR1 | |
| SCHEMBL8908162 | 0.74 | CHRNB2 (0.58) | ALDH1A1ATMRAB9AMAPTTSHR | |
| SCHEMBL7772397 | 0.72 | ALDH1A1 (0.54) | ALDH1A1ATMRAB9AMAPTNPSR1 |
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-2146963-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | Theravance, Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008133896-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2008-11-06 | — | — | WO | disclosed |