Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7599280 | 0.76 | LPAR1 (0.43) | ALDH1A1KCNH2 | |
| SCHEMBL7597734 | 0.73 | POLB (0.59) | ALDH1A1NPSR1NPC1EPHX1RAB9A | |
| SCHEMBL7598234 | 0.73 | KCNH2 (0.57) | ALDH1A1NPC1RAB9AKCNH2SMN1; SMN2 | |
| SCHEMBL3059584 | 0.72 | SMN1; SMN2 (0.69) | ALDH1A1NPSR1NPC1EPHX1RAB9A | |
| SCHEMBL3049551 | 0.71 | NPC1 (0.78) | ALDH1A1NPSR1NPC1EPHX1RAB9A | |
| SCHEMBL7597743 | 0.70 | POLB (0.67) | ALDH1A1NPSR1NPC1EPHX1RAB9A | |
| SCHEMBL3055302 | 0.70 | SMN1; SMN2 (0.69) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL3050273 | 0.69 | ALDH1A1 (0.68) | ALDH1A1NPSR1NPC1EPHX1RAB9A | |
| SCHEMBL3059631 | 0.69 | ALDH1A1 (0.76) | ALDH1A1NPSR1NPC1EPHX1RAB9A | |
| SCHEMBL8611590 | 0.69 | ALDH1A1 (0.84) | ALDH1A1NPSR1NPC1EPHX1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0782567-B2 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| EP-0782567-B1 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AB (SE) | 1999-06-30 | — | — | EP | disclosed |
| US-5721247-A | Isothiourea derivatives useful in therapy | ASTRA AKTIEBOLAG (SE) | 1998-02-24 | — | — | US | disclosed |