Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11507772 | 0.75 | CYP1A2 (0.38) | ALDH1A1MAPTHTTLMNA | |
| SCHEMBL31048932 | 0.67 | NPC1 (0.67) | ALDH1A1MAPTNPC1RAB9AHPGD | |
| SCHEMBL1466022 | 0.67 | NPC1 (0.67) | ALDH1A1MAPTNPC1RAB9AHPGD | |
| SCHEMBL9261533 | 0.66 | ALOX15 (0.56) | MAPTNPC1RAB9ATP53LMNA | |
| SCHEMBL11619505 | 0.66 | POLB (0.42) | MAPTRAB9AHPGDHTTTP53 | |
| SCHEMBL22627409 | 0.66 | NPC1 (0.65) | ALDH1A1MAPTNPC1RAB9AHPGD | |
| SCHEMBL9419020 | 0.66 | NPC1 (0.65) | ALDH1A1MAPTNPC1RAB9AHPGD | |
| SCHEMBL11508869 | 0.64 | CYP1A2 (0.39) | ALDH1A1MAPTNPC1HTTL3MBTL1 | |
| SCHEMBL11509777 | 0.64 | CYP1A2 (0.36) | ALDH1A1MAPTNPC1RAB9AHTT | |
| SCHEMBL33121 | 0.64 | ALDH1A1 (0.68) | ALDH1A1MAPTNPC1RAB9AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4117145-A | DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4117143-A | USED AS ANTITHROMBOTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-26 | — | — | US | disclosed |
| US-4113957-A | DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-12 | — | — | US | disclosed |