Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL29038291 | 1.00 | GAA (0.38) | GAAMGAMSIMGAM2CNR1 | |
| SCHEMBL28637271 | 0.88 | ZDHHC7 (0.43) | GAAMGAMSIMGAM2FAAH | |
| SCHEMBL28623845 | 0.88 | ZDHHC7 (0.43) | GAAMGAMSIMGAM2FAAH | |
| SCHEMBL28630516 | 0.86 | ZDHHC7 (0.41) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL27912254 | 0.84 | MGAM (0.41) | GAAMGAMSIMGAM2KMT2A | |
| SCHEMBL8154795 | 0.80 | MGAM (0.44) | GAAMGAMSIMGAM2KMT2A | |
| SCHEMBL1802040 | 0.77 | GAA (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL16860621 | 0.77 | CPB2 (0.41) | CNR1CNR2KMT2AALDH1A1CPB2 | |
| SCHEMBL29072823 | 0.77 | CPB2 (0.41) | CNR1CNR2KMT2AALDH1A1CPB2 | |
| Hydrochloric Acid SCHEMBL6656029 | 0.76 | CYP1A2 (0.39) | GAAMGAMSIMGAM2KMT2A |
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-111936173-A | Tricarbonyl complexes of benzoheterocyclic derivatives of transition metals and cyclopentadienyl anions | “戴莫克里托斯”国家科学研究中心 | 2020-11-13 | — | — | CN | disclosed |