Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.36 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12003727 | 0.83 | CYP1A2 (0.56) | CYP1A2NCF1HTR3AHRH4KDM4E | |
| SCHEMBL31391395 | 0.83 | CYP1A2 (0.56) | CYP1A2NCF1HTR3AHRH4KDM4E | |
| SCHEMBL3337226 | 0.78 | CYP1A2 (0.47) | CYP1A2NCF1HTR3AHRH4KDM4E | |
| SCHEMBL17061539 | 0.78 | CYP1A2 (0.47) | CYP1A2NCF1HTR3AHRH4KDM4E | |
| SCHEMBL23773568 | 0.77 | CYP1A2 (0.41) | CYP1A2NCF1HTR3AHRH4KDM4E | |
| Hydrochloric Acid SCHEMBL10583489 | 0.77 | MAPT (0.48) | CYP1A2KDM4EEGFRLMNAPOLB | |
| SCHEMBL23978561 | 0.76 | CYP1A2 (0.46) | CYP1A2NCF1HTR3AHRH4KDM4E | |
| Hydrochloric Acid SCHEMBL10583130 | 0.74 | CYP1A2 (0.47) | CYP1A2NCF1KDM4EEGFRTSHR | |
| SCHEMBL26488447 | 0.72 | CYP1A2 (0.43) | CYP1A2NCF1HTR3AHRH4KDM4E | |
| SCHEMBL11769407 | 0.72 | TLR8 (0.46) | CYP1A2TRPV1TLR8 |
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 |