Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MLYCD | O95822 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CHKA | P35790 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.45 |
| ▸ | MYC | P01106 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL3808106 | 0.89 | ALDH1A1 (0.70) | ALDH1A1TSHRMEN1USP2KMT2A | |
| SCHEMBL8630996 | 0.86 | CHKA (0.44) | ALDH1A1TSHRMEN1USP2KMT2A | |
| SCHEMBL10684394 | 0.86 | NPC1 (0.62) | ALDH1A1TSHRMEN1USP2KMT2A | |
| Hydrochloric Acid SCHEMBL8632109 | 0.85 | AKR1C3 (0.43) | ALDH1A1TSHRMEN1USP2KMT2A | |
| SCHEMBL8048603 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TSHRMEN1USP2KMT2A | |
| SCHEMBL8696589 | 0.84 | CA12 (0.49) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL15286530 | 0.83 | CA12 (0.55) | ALDH1A1TSHRMEN1USP2KMT2A | |
| SCHEMBL8544999 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TSHRMEN1USP2KMT2A | |
| SCHEMBL7236851 | 0.79 | KMT2A (0.62) | ALDH1A1TSHRMEN1KMT2AMAPT | |
| SCHEMBL2492855 | 0.78 | NPC1 (0.68) | ALDH1A1TSHRUSP2SMN1; SMN2ENPP2 |
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-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |
| US-5728701-A | INHIBIT PLATELET AGGREGATION | ZENECA LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |