Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.32 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401340 | 0.80 | CYP1A2 (0.56) | CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD | |
| SCHEMBL12200680 | 0.76 | CYP1A2 (0.52) | CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD | |
| SCHEMBL26400830 | 0.76 | CHRNB2 (0.38) | SMN1; SMN2KMT2AALDH1A1CHRNB2CHRNA3 | |
| SCHEMBL24010084 | 0.76 | BLM (0.41) | TDP1KMT2AEPHX2EPHX1ALDH1A1 | |
| SCHEMBL19135562 | 0.76 | USP2 (0.42) | CYP1A2SMN1; SMN2KMT2AEPHX1ALDH1A1 | |
| SCHEMBL3401349 | 0.75 | CYP1A2 (0.56) | CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD | |
| SCHEMBL23987209 | 0.75 | CYP1A2 (0.56) | CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD | |
| SCHEMBL16362659 | 0.73 | CYP1A2 (0.48) | CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD | |
| SCHEMBL14407779 | 0.73 | CYP1A2 (0.77) | CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD | |
| SCHEMBL37407 | 0.73 | — | — |
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-2023230190-A1 | PYRIMIDINE BASED MODULATORS AND USES THEREOF | QUANTA THERAPEUTICS, INC. (US) | 2023-11-30 | — | — | WO | disclosed |
| WO-2021225969-A1 | IMINO SULFANONE INHIBITORS OF ENPP1 | VOLASTRA THERAPEUTICS, INC. (US) | 2021-11-11 | — | — | WO | disclosed |