Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR5A | P47898 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | SCN4A | P35499 | 2/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 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 | |
|---|---|---|---|---|
| SCHEMBL8251067 | 0.88 | ADRB1 (0.51) | ADRB1SMN1; SMN2RAB9ANPC1TP53 | |
| Hydrochloric Acid SCHEMBL4057285 | 0.87 | ADRB1 (0.50) | ADRB1SMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL22860334 | 0.84 | SMN1; SMN2 (0.59) | SMN1; SMN2RAB9ANPC1TP53MAPT | |
| SCHEMBL12200473 | 0.82 | SMN1; SMN2 (0.70) | SMN1; SMN2RAB9ANPC1TP53MAPT | |
| SCHEMBL3114590 | 0.79 | NPC1 (0.60) | SMN1; SMN2RAB9ANPC1TP53MAPT | |
| SCHEMBL15146886 | 0.79 | IDO1 (0.39) | ADRB1SMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL15173753 | 0.76 | ROCK2 (0.38) | SMN1; SMN2RAB9AHPGDHSD17B10 | |
| SCHEMBL23010841 | 0.76 | ADRB1 (0.54) | ADRB1TP53HTR3EHTR3BHTR3A | |
| SCHEMBL12273224 | 0.75 | MAPT (0.41) | ADRB1SMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL3232592 | 0.73 | SCN4A (0.61) | SMN1; SMN2RAB9ANPC1TP53MAPT |
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-2021030620-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC. (US) | 2021-02-18 | — | — | WO | disclosed |
| WO-2021003314-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | NUVATION BIO INC. (US) | 2021-01-07 | — | — | WO | disclosed |