Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TLR4 | O00206 | 1/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15299575 | 0.86 | MAPK1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16688436 | 0.83 | HDAC3 (0.38) | LMNARAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL30460282 | 0.81 | MAPK1 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15285101 | 0.80 | P4HA1 (0.46) | CYP1A2MAPTHPGDCYP2C9CYP2C19 | |
| SCHEMBL879216 | 0.79 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19609303 | 0.79 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29413990 | 0.79 | NNMT (0.46) | SMN1; SMN2L3MBTL1 | |
| SCHEMBL2772711 | 0.78 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16560326 | 0.77 | HDAC3 (0.34) | ALDH1A1 | |
| SCHEMBL1287501 | 0.77 | CA12 (0.50) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-9238657-B2 | Cephalosporin having catechol group | SHIONOGI & CO., LTD. (JP) | 2016-01-19 | — | — | US | disclosed |