Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8909773 | 0.98 | ALDH1A1 (0.64) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL575835 | 0.97 | ALDH1A1 (0.70) | ALDH1A1MAPK1CA12CA1CA2 | |
| Fluoride SCHEMBL945618 | 0.95 | ALDH1A1 (0.67) | ALDH1A1MAPK1CA12CA1CA2 | |
| Fluoride SCHEMBL27856295 | 0.95 | ALDH1A1 (0.67) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL28010061 | 0.95 | ALDH1A1 (0.67) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL23289811 | 0.89 | ALDH1A1 (0.58) | ALDH1A1MAPK1CA12CA1CA2 | |
| Ammonia Solution, Strong SCHEMBL19133464 | 0.86 | ALDH1A1 (0.61) | ALDH1A1MAPK1MAOAMAOBMTNR1A | |
| SCHEMBL12432111 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL13397872 | 0.84 | CA12 (0.61) | ALDH1A1MAPK1CA12CA1CA2 | |
| SCHEMBL4179998 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MAPK1MAOAMAOBMTNR1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114436949-B | Tetradentate ligand, metal complex, and preparation methods and applications thereof | 上海巽田科技股份有限公司 | 2023-09-22 | — | — | CN | disclosed |
| CN-114436949-A | Tetradentate ligand and metal complex, and preparation method and application thereof | 上海巽田科技股份有限公司 | 2022-05-06 | — | — | CN | disclosed |
| US-5672588-A | Purine derivatives | NOVO NORDISK A/S (DK) | 1997-09-30 | — | — | US | disclosed |
| EP-0603348-A1 | PURINE DERIVATIVES | NOVO NORDISK A/S (DK) | 1994-06-29 | — | — | EP | disclosed |
| WO-1993023418-A1 | PURINE DERIVATIVES | NOVO NORDISK A/S (DK) | 1993-11-25 | — | — | WO | disclosed |