Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | GPR3 | P46089 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12985950 | 0.75 | ALDH1A1 (0.34) | HTR2ACA1CA2KDM4EMEN1 | |
| SCHEMBL9320748 | 0.75 | IDO1 (0.46) | HTR2ACA1CA2KDM4EMEN1 | |
| SCHEMBL7782080 | 0.75 | CYP2D6 (0.32) | HTR2AGPR3 | |
| SCHEMBL4822373 | 0.69 | HTR2A (0.42) | HTR2AKDM4EMEN1ALDH1A1TP53 | |
| SCHEMBL29415503 | 0.69 | HTR2A (0.46) | HTR2AKDM4EMEN1ALDH1A1TP53 | |
| SCHEMBL28268741 | 0.69 | HTR2A (0.46) | HTR2AKDM4EMEN1ALDH1A1TP53 | |
| SCHEMBL22321060 | 0.69 | HTR2A (0.46) | HTR2AKDM4EMEN1ALDH1A1TP53 | |
| SCHEMBL29732957 | 0.69 | HTR2A (0.46) | HTR2AKDM4EMEN1ALDH1A1TP53 | |
| SCHEMBL2404712 | 0.69 | HTR2A (0.46) | HTR2AKDM4EMEN1ALDH1A1TP53 | |
| Water SCHEMBL27731068 | 0.67 | HTR2A (0.45) | HTR2AKDM4EMEN1ALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1143974-A1 | PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING DISCOMFORT | N.V. Nutricia (NL) | 2001-10-17 | — | — | EP | disclosed |
| EP-1140816-A1 | AROMATIC HYDROXYTHIOL SYNTHESIS USING DIAZONIUMSALTS | AlliedSignal Inc. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000043013-A1 | PHARMACEUTICAL COMPOSITIONS FOR ALLEVIATING DISCOMFORT | N.V. NUTRICIA (NL) | 2000-07-27 | — | — | WO | disclosed |
| WO-2000042868-A1 | INFANT FORMULA | N.V. NUTRICIA (NL) | 2000-07-27 | — | — | WO | disclosed |
| WO-2000037439-A1 | AROMATIC HYDROXYTHIOL SYNTHESIS USING DIAZONIUM SALTS | ALLIEDSIGNAL INC. (US) | 2000-06-29 | — | — | WO | disclosed |