Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1605255 | 0.82 | ALDH1A1 (0.39) | ALDH1A1PTPN1MEN1KMT2AHPGD | |
| Propionaldehyde SCHEMBL28849694 | 0.81 | PTPN1 (0.33) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| Benzene SCHEMBL28263391 | 0.80 | ALDH1A1 (0.38) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| Naphthalene SCHEMBL27762368 | 0.73 | TDP1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL27272020 | 0.72 | KMT2A (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL28030446 | 0.72 | TDP1 (0.43) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL27544771 | 0.69 | TDP1 (0.50) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| Anthracene SCHEMBL27589703 | 0.69 | ALDH1A1 (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL10370767 | 0.68 | KDM4E (0.41) | ALDH1A1MAPTPTPN1KDM4EMEN1 | |
| 1-Naphthol SCHEMBL28331151 | 0.68 | CYP1A2 (0.65) | ALDH1A1PTPN1KDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107188837-B | A kind of synthetic method of α-acyl group high allyl thio-ether type compounds | 温州大学 | 2019-05-28 | — | — | CN | disclosed |
| CN-107188837-A | A kind of synthetic method of α acyl groups high allyl thio-ether type compounds | 温州大学 | 2017-09-22 | — | — | CN | disclosed |