Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MT-CO2 | P00403 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 3/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL26498790 | 0.85 | MAPT (0.40) | MT-CO2ROCK2TMEM97SIGMAR1NPC1 | |
| SCHEMBL23978615 | 0.85 | MAPT (0.40) | MT-CO2ROCK2TMEM97SIGMAR1NPC1 | |
| SCHEMBL23978649 | 0.80 | ITGAL (0.44) | MT-CO2ROCK2TMEM97SIGMAR1NPC1 | |
| SCHEMBL30279400 | 0.80 | ITGAL (0.44) | MT-CO2ROCK2TMEM97SIGMAR1NPC1 | |
| SCHEMBL23978549 | 0.80 | ITGAL (0.44) | MT-CO2ROCK2TMEM97SIGMAR1NPC1 | |
| SCHEMBL23978670 | 0.79 | TMEM97 (0.45) | MT-CO2ROCK2TMEM97SIGMAR1NPC1 | |
| SCHEMBL26502639 | 0.78 | TACR1 (0.42) | ROCK2TMEM97SIGMAR1NPC1RAB9A | |
| SCHEMBL23978995 | 0.78 | TACR1 (0.42) | ROCK2TMEM97SIGMAR1NPC1RAB9A | |
| SCHEMBL21705675 | 0.73 | ROCK2 (0.49) | MT-CO2ROCK2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23978942 | 0.72 | ITGB1 (0.46) | TMEM97SIGMAR1NPC1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |