Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.57 |
| ▸ | VCP | P55072 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL27838889 | 0.90 | TSHR (0.56) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Benzoic Acid SCHEMBL16418108 | 0.86 | TSHR (0.64) | ALDH1A1SRD5A2CES2CES1TSHR | |
| 4-Methylbenzoic Acid SCHEMBL14723409 | 0.82 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| 4-Methylbenzoic Acid SCHEMBL7940172 | 0.82 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| SCHEMBL40299 | 0.82 | TSHR (0.60) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| 4-Methylbenzoic Acid SCHEMBL27936299 | 0.82 | ALDH1A1 (0.94) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| 4-Methylbenzoic Acid SCHEMBL28323007 | 0.80 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| SCHEMBL160187 | 0.80 | TSHR (0.57) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Hydrochloric Acid SCHEMBL2707678 | 0.80 | TSHR (0.57) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Benzoic Acid SCHEMBL3897333 | 0.80 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105254787-A | Hydrazone-containing polyphenylacetylene and preparation method thereof | UNIV SHANGHAI | 2016-01-20 | — | — | CN | disclosed |