Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP3 | P15309 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1069498 | 0.94 | ACP3 (0.47) | ACP3CA2CA4CA5ARAB9A | |
| SCHEMBL916920 | 0.81 | PGK1 (0.53) | ACP3CA2CA4CA5AHTT | |
| SCHEMBL31467547 | 0.81 | PGK1 (0.53) | ACP3CA2CA4CA5AHTT | |
| SCHEMBL191567 | 0.80 | CA2 (0.68) | CA2CA4CA5ACFTRHTT | |
| SCHEMBL11805101 | 0.79 | PGK1 (0.52) | ACP3CA2CA4CA5AHTT | |
| SCHEMBL9098018 | 0.79 | ACP3 (0.46) | ACP3CA2CA4CA5ARAB9A | |
| SCHEMBL19809603 | 0.78 | CA2 (0.65) | CA2CA4CA5ACFTRHTT | |
| SCHEMBL19809596 | 0.78 | CA2 (0.65) | CA2CA4CA5ACFTRHTT | |
| SCHEMBL19809604 | 0.78 | CA2 (0.65) | CA2CA4CA5ACFTRHTT | |
| SCHEMBL190541 | 0.78 | CA2 (0.65) | CA2CA4CA5ACFTRHTT |
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-5861107-A | ESTER INTERCHANGE OF 1,3-PROPANEDIOL COMPOUNDS WITH CARBONIC ACID ESTERS; DISTILLATIVE DEPOLYMERIZATION; CATALYSIS WITH TITANIUM OR ZIRCONIUM COMPOUND; PHOSPHORUS OR SULFUR COMPOUND STABILIZER | BAYER AKTIENGESELLSCHAFT (DE) | 1999-01-19 | — | — | US | disclosed |
| EP-0816354-A1 | Process for preparing and stabilisation of aliphatic six-membered cyclic carbonates | BAYER AG (DE) | 1998-01-07 | — | — | EP | disclosed |