Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CHKA | P35790 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8631456 | 0.84 | ALDH1A1 (0.56) | CA12CA1CA2CA9CHKA | |
| SCHEMBL4907976 | 0.84 | SMN1; SMN2 (0.50) | SMN1; SMN2CYP3A4CYP2C9TSHRALDH1A1 | |
| Potassium SCHEMBL30402396 | 0.83 | SMN1; SMN2 (0.49) | SMN1; SMN2CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL398926 | 0.81 | KDM4C (0.41) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL15286530 | 0.80 | CA12 (0.55) | CA12CA1CA2CA9SMN1; SMN2 | |
| SCHEMBL8669300 | 0.76 | GPR119 (0.53) | ALDH1A1MEN1MAPTKMT2A | |
| Biphenyl SCHEMBL27395942 | 0.76 | HTR6 (0.48) | CYP3A4ADRB2NCF1ALDH1A1 | |
| SCHEMBL30331023 | 0.76 | F10 (0.39) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL7947516 | 0.75 | KDM4E (0.59) | CHKASMN1; SMN2CYP3A4AKR1C3CYP2C9 | |
| SCHEMBL10684394 | 0.74 | NPC1 (0.62) | CA12CA1CA2CA9CHKA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |