Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | BRS3 | P32247 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6445972 | 0.85 | FOLH1 (0.59) | ALDH1A1FOLH1SMN1; SMN2KDM4EHTT | |
| SCHEMBL1995924 | 0.84 | ALDH1A1 (0.42) | ALDH1A1LMNAFOLH1KDM4ECYP3A4 | |
| SCHEMBL28890207 | 0.81 | AKR1C3 (0.47) | ALDH1A1FOLH1KDM4ETSHR | |
| SCHEMBL2125820 | 0.79 | ALDH1A1 (0.47) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL19291183 | 0.79 | PTPN1 (0.50) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL30628269 | 0.79 | ALDH1A1 (0.47) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL5609826 | 0.79 | ALDH1A1 (0.47) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL6480908 | 0.77 | LMNA (0.41) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL5609024 | 0.77 | ALDH1A1 (0.46) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL5696477 | 0.77 | ALDH1A1 (0.46) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E |
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-6291716-B1 | INTRODUCING ALKYL MOIETY TO AN ORTHO-POSITION OF THE AROMATIC KETONE IN PRESENCE OF A PRIMARY AMINE AND TRANSITION METAL CATALYST, ALKYL MOIETY COMPOUND BEING SOURCED FROM ALIPHATIC OR AROMATIC OLEFINS, INTERNAL OLEFINS OR DIENES | Jun, Chul Ho (KR) | 2001-09-18 | — | — | US | disclosed |