Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3171103 | 0.78 | HPGDS (0.56) | CES2CES1DAOHPGDSJAK3 | |
| SCHEMBL5067712 | 0.77 | TSHR (0.43) | DAONPC1RAB9AMEN1KMT2A | |
| SCHEMBL565974 | 0.77 | CES2 (0.64) | CES2CES1DAOHPGDSNPC1 | |
| SCHEMBL5873384 | 0.75 | CES2 (0.61) | CES2CES1DAOHPGDSNPC1 | |
| Ethylene SCHEMBL28075502 | 0.75 | CES2 (0.61) | CES2CES1DAOHPGDSNPC1 | |
| SCHEMBL4196929 | 0.75 | CES2 (0.61) | CES2CES1DAOHPGDSNPC1 | |
| SCHEMBL1864649 | 0.73 | RAB9A (0.57) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL3933711 | 0.71 | CES2 (0.56) | CES2CES1DAOHPGDSNPC1 | |
| SCHEMBL9412769 | 0.68 | HPGDS (0.59) | CES2CES1DAOHPGDSNPC1 | |
| SCHEMBL9533233 | 0.68 | RAB9A (0.46) | RAB9AMEN1KMT2AALDH1A1 |
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-2021211854-A1 | INHALABLE FORMULATION OF A SOLUTION CONTAINING TIOTROPIUM BROMIDE | HUANG CAI GU (US) | 2021-10-21 | — | — | WO | disclosed |
| US-5187288-A | Electrically neutral, photostable, narrow absorption and emission spectra | MOLECULAR PROBES, INC. (US) | 1993-02-16 | — | — | US | disclosed |