Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.30 |
| ▸ | NSD2 | O96028 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL10399534 | 1.00 | CES2 (0.35) | CES2CES1POLBCYP2C9CYP2C19 | |
| SCHEMBL10738756 | 0.85 | MAPT (0.36) | CES2CES1POLBCYP2C9CYP2C19 | |
| SCHEMBL10738755 | 0.85 | MAPT (0.36) | CES2CES1POLBCYP2C9CYP2C19 | |
| SCHEMBL9860429 | 0.80 | NPC1 (0.38) | POLBCYP2C9CYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL9860358 | 0.80 | NPC1 (0.38) | POLBCYP2C9CYP2C19SMN1; SMN2NPC1 | |
| SCHEMBL9562440 | 0.79 | CYP2C9 (0.48) | CES2CES1POLBCYP2C9CYP2C19 | |
| SCHEMBL9210270 | 0.79 | CYP2C9 (0.48) | CES2CES1POLBCYP2C9CYP2C19 | |
| SCHEMBL10745724 | 0.72 | NPC1 (0.41) | CES2CES1POLBSMN1; SMN2TDP1 | |
| SCHEMBL10745718 | 0.72 | NPC1 (0.41) | CES2CES1POLBSMN1; SMN2TDP1 | |
| SCHEMBL9057321 | 0.71 | CES2 (0.33) | CES2CES1SMN1; SMN2TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4977263-A | USING CHEMICAL INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-11 | — | — | US | disclosed |
| US-4902795-A | Intermediates for 1,8-bridged 4-quinolone-3-carboxylic acid antibacterials | BAYER AKTIENGESELLSCHAFT (DE) | 1990-02-20 | — | — | US | disclosed |
| US-4841059-A | CHEMICAL INTERMEDIATES FOR BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-06-20 | — | — | US | disclosed |
| US-4725595-A | 1,8-bridged 4-quinolone-3-carboxylic acid antibacterials | BAYER AKTIENGESELLSCHAFT (DE) | 1988-02-16 | — | — | US | disclosed |