Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.64 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | PTGER1 | P34995 | 6/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 5/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7378150 | 0.89 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7749521 | 0.88 | NPC1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7513795 | 0.88 | NPC1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7376988 | 0.85 | CYP19A1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7370294 | 0.83 | HPGD (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7369585 | 0.83 | NPC1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7373410 | 0.82 | NPC1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7372311 | 0.80 | CYP19A1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL7377370 | 0.80 | EGFR (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD | |
| SCHEMBL27503155 | 0.79 | CYP19A1 (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2HPGD |
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-6211242-B1 | CARDIOVASCULAR DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-04-03 | — | — | US | disclosed |
| EP-0757670-B1 | BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO (JP) | 1999-01-13 | — | — | EP | disclosed |