Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9700914 | 0.83 | ALDH1A1 (0.41) | PDE4APDE4BPDE4CPDE4DTAAR1 | |
| SCHEMBL9703287 | 0.80 | CA1 (0.46) | PARP1PRSS1PRSS2PRSS3CES2 | |
| SCHEMBL10723298 | 0.78 | PARP1 (0.56) | PARP1PRSS1PRSS2PRSS3CES2 | |
| Hydrochloric Acid SCHEMBL10723123 | 0.77 | PARP1 (0.54) | PARP1PRSS1PRSS2PRSS3CES2 | |
| SCHEMBL9702052 | 0.76 | ALDH1A1 (0.46) | PARP1TAAR1ALDH1A1MAPTPKM | |
| SCHEMBL9701949 | 0.75 | MAOB (0.54) | PRSS1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL632503 | 0.75 | PARP1 (0.66) | PARP1PRSS1PRSS2PRSS3CES2 | |
| Hydrochloric Acid SCHEMBL1181823 | 0.73 | PARP1 (0.64) | PARP1PRSS1PRSS2PRSS3CES2 | |
| Hydrochloric Acid SCHEMBL30301359 | 0.73 | PARP1 (0.64) | PARP1PRSS1PRSS2PRSS3CES2 | |
| SCHEMBL9701621 | 0.73 | ALDH1A1 (0.57) | NPC1RAB9ASMN1; SMN2TAAR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5120764-A | Administering penicillamine and allenylamines to inhibit crosslinking of collagen | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0374440-A2 | Inhibitors of lysyl oxidase | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-06-27 | — | — | EP | disclosed |