Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.46 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.46 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL163306 | 1.00 | ALDH1A1 (0.52) | ALDH1A1KDM4EGNAI3GNAO1GNAI1 | |
| SCHEMBL17284236 | 0.91 | ALDH1A1 (0.45) | ALDH1A1KDM4EGNAI3GNAO1GNAI1 | |
| SCHEMBL13833159 | 0.85 | ALDH1A1 (0.65) | ALDH1A1KDM4EKMT2ALMNAHTT | |
| SCHEMBL3971866 | 0.85 | ALDH1A1 (0.65) | ALDH1A1KDM4EKMT2ALMNAHTT | |
| SCHEMBL154974 | 0.85 | ALDH1A1 (0.65) | ALDH1A1KDM4EKMT2ALMNAHTT | |
| SCHEMBL235856 | 0.85 | — | — | |
| SCHEMBL17284463 | 0.84 | GNAI3 (0.54) | ALDH1A1KDM4EGNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL15993888 | 0.82 | — | — | |
| Fluoride SCHEMBL11255187 | 0.82 | ALDH1A1 (0.70) | ALDH1A1KDM4EKMT2ALMNAHTT | |
| Hydrochloric Acid SCHEMBL11139073 | 0.82 | ALDH1A1 (0.62) | ALDH1A1KDM4EKMT2ALMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | claimed |
| US-5916899-A | SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. | TREGA BIOSCIENCES, INC. (US) | 1999-06-29 | — | — | US | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| US-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | disclosed |
| US-5916899-A | SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. | TREGA BIOSCIENCES, INC. (US) | 1999-06-29 | — | — | US | disclosed |