Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | TP53 | P04637 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.43 |
| ▸ | CCR8 | P51685 | 2/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27908771 | 0.90 | POLB (0.57) | NPC1SMN1; SMN2TP53TSHRKDM4E | |
| SCHEMBL5612943 | 0.89 | TLR8 (0.53) | NPC1SMN1; SMN2TP53TSHRKDM4E | |
| SCHEMBL11226113 | 0.87 | TLR8 (0.51) | POLBCYP1A2BLMALDH1A1KMT2A | |
| SCHEMBL16502267 | 0.87 | TLR8 (0.51) | POLBCYP1A2BLMALDH1A1KMT2A | |
| SCHEMBL6357965 | 0.86 | TP53 (0.47) | NPC1SMN1; SMN2TP53TSHRKDM4E | |
| SCHEMBL9444420 | 0.81 | ESR1 (0.64) | NPC1TSHRPOLBHIF1AALDH1A1 | |
| SCHEMBL27891848 | 0.80 | TP53 (0.42) | NPC1SMN1; SMN2TP53TSHRKDM4E | |
| SCHEMBL1445699 | 0.78 | KDM4E (0.50) | NPC1SMN1; SMN2TP53TSHRKDM4E | |
| Hydrochloric Acid SCHEMBL7182544 | 0.77 | ALDH1A1 (0.57) | TSHRLMNAPOLBHIF1AALDH1A1 | |
| SCHEMBL2839207 | 0.76 | HSD17B10 (0.59) | NPC1SMN1; SMN2TP53TSHRKDM4E |
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-105603436-A | Composite corrosion inhibitor and preparation method thereof | CHANGCHUN INST APPLIED CHEMISTRY CAS | 2016-05-25 | — | — | CN | disclosed |