Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ANPEP | P15144 | 2/20 | 0.43 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5335331 | 0.89 | TSHR (0.60) | ALDH1A1NPC1RAB9ATSHRAKR1C3 | |
| SCHEMBL16815024 | 0.83 | TSHR (0.53) | ALDH1A1NPC1RAB9ATDP1TSHR | |
| SCHEMBL19209511 | 0.80 | ALDH1A1 (0.70) | ALDH1A1CYP2A6NPC1RAB9ATDP1 | |
| SCHEMBL864643 | 0.79 | RAB9A (0.69) | ALDH1A1CYP2A6NPC1RAB9ATDP1 | |
| SCHEMBL9129690 | 0.79 | RAB9A (0.69) | ALDH1A1CYP2A6NPC1RAB9ATDP1 | |
| SCHEMBL8389200 | 0.79 | NPC1 (0.53) | ALDH1A1NPC1RAB9AMAPTHTT | |
| SCHEMBL9607336 | 0.78 | ALDH1A1 (0.79) | ALDH1A1CYP2A6NPC1RAB9ATDP1 | |
| SCHEMBL10633227 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP2A6NPC1RAB9ATDP1 | |
| SCHEMBL5604883 | 0.77 | ALDH1A1 (0.76) | ALDH1A1CYP2A6NPC1RAB9ATDP1 | |
| Anisaldehyde SCHEMBL2239445 | 0.76 | ALDH1A1 (0.91) | ALDH1A1CYP2A6TSHRMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9126451-B2 | Thermal recording materials | APPVION, INC. (US) | 2015-09-08 | — | — | US | disclosed |
| US-20150165806-A1 | THERMAL RECORDING MATERIALS | APPVION, INC. (US) | 2015-06-18 | — | — | US | disclosed |