Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.59 |
| ▸ | MPO | P05164 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL172536 | 0.84 | TAAR1 (0.58) | TAAR1MPOHPGDMEN1KMT2A | |
| SCHEMBL172639 | 0.81 | MPO (0.49) | TAAR1MPOHPGDMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7368184 | 0.81 | TAAR1 (0.67) | TAAR1MPOHPGDMEN1KMT2A | |
| SCHEMBL19405245 | 0.80 | ALDH1A1 (0.51) | TAAR1MPOMEN1KMT2AEPHX2 | |
| SCHEMBL17033966 | 0.79 | TAAR1 (0.66) | TAAR1MPOHPGDMEN1KMT2A | |
| SCHEMBL22762048 | 0.79 | TAAR1 (0.59) | TAAR1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL28507125 | 0.78 | TAAR1 (0.54) | TAAR1MPOHPGDMEN1KMT2A | |
| SCHEMBL12312602 | 0.78 | TAAR1 (0.63) | TAAR1MPOHPGDMEN1KMT2A | |
| SCHEMBL172293 | 0.78 | TAAR1 (0.63) | TAAR1MPOHPGDMEN1KMT2A | |
| SCHEMBL22762050 | 0.75 | TAAR1 (0.59) | TAAR1MPOHPGDMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022120207-A1 | BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2022-06-09 | — | — | WO | disclosed |
| WO-2020247860-A1 | BROAD SPECTRUM ANTIVIRAL COMPOUNDS TARGETING THE SKI COMPLEX | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2020-12-10 | — | — | WO | disclosed |