Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL7694989 | 0.76 | ALDH1A1 (0.39) | CYP3A4TSHRKMT2AALDH1A1HSD17B10 | |
| SCHEMBL7870381 | 0.75 | CYP1A2 (0.50) | CYP3A4KMT2AALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL11547382 | 0.75 | ARG1 (0.41) | KMT2AMEN1APPALOX15SNCA | |
| SCHEMBL30026816 | 0.72 | CYP3A4 (0.86) | CYP3A4TSHRKMT2AALDH1A1CYP1A2 | |
| SCHEMBL1389429 | 0.72 | CYP3A4 (0.86) | CYP3A4TSHRKMT2AALDH1A1CYP1A2 | |
| SCHEMBL626632 | 0.72 | ALDH1A1 (0.43) | CYP3A4TSHRKMT2AALDH1A1CYP1A2 | |
| SCHEMBL11413768 | 0.71 | PDE5A (0.34) | TSHRALDH1A1CYP1A2HSD17B10MAPK1 | |
| SCHEMBL28729942 | 0.71 | ALDH1A1 (0.46) | CYP3A4TSHRKMT2AALDH1A1CYP1A2 | |
| SCHEMBL2934239 | 0.70 | — | — | |
| SCHEMBL31388534 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4163015-A | ANTIBACTERIAL AGENTS | STERLING DRUG INC. (US) | 1979-07-31 | — | — | US | disclosed |
| US-4138405-A | BACTERICIDES | STERLING DRUG INC. (US) | 1979-02-06 | — | — | US | disclosed |