Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 7/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11388926 | 0.91 | CYP1A2 (0.36) | CYP1A2HSD11B1TP53TSHRMAPK1 | |
| SCHEMBL10672406 | 0.89 | HTT (0.36) | CYP1A2HSD11B1MAPK1HSD17B10HTT | |
| SCHEMBL11400675 | 0.88 | CYP1A2 (0.34) | CYP1A2HSD11B1TP53TSHRHTT | |
| SCHEMBL11398131 | 0.88 | CYP1A2 (0.34) | CYP1A2HSD11B1TP53TSHRHTT | |
| SCHEMBL11396114 | 0.88 | CYP1A2 (0.34) | CYP1A2HSD11B1TP53TSHRHTT | |
| SCHEMBL11400860 | 0.88 | CYP1A2 (0.34) | CYP1A2HSD11B1TP53TSHRHTT | |
| SCHEMBL829121 | 0.83 | EGLN3 (0.44) | CYP1A2HSD11B1MAPK1 | |
| SCHEMBL7764233 | 0.81 | MAPK1 (0.36) | CYP1A2TP53TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL11603550 | 0.77 | CYP1A2 (0.34) | CYP1A2KMT2A | |
| SCHEMBL10999036 | 0.77 | KDM4E (0.34) | CYP1A2HSD11B1L3MBTL1KDM4ETP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4286089-A | BACTERICIDES | SMITHKLINE CORPORATION (US) | 1981-08-25 | — | — | US | disclosed |
| US-4278670-A | TREATING BACTERIAL INFECTIONS | SMITHKLINE CORPORATION (US) | 1981-07-14 | — | — | US | disclosed |
| US-4220644-A | BACTERICIDES | SMITHKLINE CORPORATION (US) | 1980-09-02 | — | — | US | disclosed |