Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL16848540 | 0.76 | TYMS (0.36) | ALDH1A1KDM4EKMT2AESR1NPC1 | |
| SCHEMBL16525531 | 0.76 | — | — | |
| SCHEMBL16521682 | 0.76 | MEN1 (0.32) | ALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL16521640 | 0.72 | NR1H2 (0.32) | — | |
| SCHEMBL16525530 | 0.72 | — | — | |
| SCHEMBL14242421 | 0.69 | ALDH1A1 (0.54) | ALDH1A1KDM4EUSP2MAPTHTT | |
| SCHEMBL1387828 | 0.68 | CFTR (0.38) | ALDH1A1MAPTLMNACYP1A2CYP2C9 | |
| SCHEMBL24221079 | 0.65 | KDM4E (0.53) | ALDH1A1KDM4EUSP2MAPTHTT | |
| Acetone SCHEMBL28756352 | 0.64 | EDNRA (0.36) | ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2 | |
| SCHEMBL14706556 | 0.64 | NPC1 (0.53) | ALDH1A1KDM4EUSP2KMT2AKEAP1 |
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-20150179714-A1 | Crosslinkable, /Polymerizable and Combinations Thereof Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications and Mothod of Making Same. | Molaire Consulting | 2015-06-25 | — | — | US | disclosed |