Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28721667 | 0.80 | GSTP1 (0.41) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL47790 | 0.79 | TSHR (0.42) | FBP1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL47791 | 0.79 | TSHR (0.42) | FBP1ALDH1A1MEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL28016724 | 0.77 | GAA (0.38) | FBP1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL7968000 | 0.77 | FBP1 (0.36) | FBP1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL618822 | 0.75 | TXNRD1 (0.39) | FBP1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL27311411 | 0.74 | ALDH1A1 (0.41) | FBP1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL27837566 | 0.73 | SIRT6 (0.44) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL7357833 | 0.71 | ALDH1A1 (0.33) | ALDH1A1LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL27364415 | 0.71 | CTSV (0.46) | MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105294732-A | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG | 2016-02-03 | — | — | CN | disclosed |
| CN-102471349-A | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG | 2012-05-23 | — | — | CN | disclosed |
| WO-1998023586-A1 | AROMATIC AMINOALCOHOLS AS 5HT1A ANTAGONISTS AND AS SEROTONIN REABSORPTION INHIBITORS | PIERRE FABRE MEDICAMENT (FR) | 1998-06-04 | — | — | WO | disclosed |