Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9860358 | 1.00 | NPC1 (0.38) | NPC1RAB9APOLBKMT2AGAA | |
| SCHEMBL9860587 | 0.87 | NPC1 (0.42) | NPC1RAB9APOLBKMT2AGAA | |
| SCHEMBL9562336 | 0.81 | RAB9A (0.55) | NPC1RAB9APOLBALDH1A1CYP2C9 | |
| SCHEMBL9212308 | 0.81 | RAB9A (0.55) | NPC1RAB9APOLBALDH1A1CYP2C9 | |
| SCHEMBL10399534 | 0.80 | CES2 (0.35) | NPC1RAB9APOLBKMT2AGAA | |
| SCHEMBL10399532 | 0.80 | CES2 (0.35) | NPC1RAB9APOLBKMT2AGAA | |
| SCHEMBL9860368 | 0.79 | GABRA1 (0.48) | NPC1RAB9APOLBALDH1A1KDM4E | |
| SCHEMBL9860364 | 0.79 | GABRA1 (0.48) | NPC1RAB9APOLBALDH1A1KDM4E | |
| SCHEMBL9860559 | 0.74 | HPGD (0.44) | NPC1RAB9APOLBKMT2AGAA | |
| SCHEMBL9860561 | 0.74 | HPGD (0.44) | NPC1RAB9APOLBKMT2AGAA |
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-4990646-A | Preparation of halogenated quinolonecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4914228-A | Preparation of halogenated quinolonecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1990-04-03 | — | — | US | disclosed |
| US-4782156-A | Nitriles of halogenated quinolonecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1988-11-01 | — | — | US | disclosed |
| US-4680401-A | Preparation of halogenated quinolonecarboxylic acids | BAYER AKTIENGESELLSCHAFT (DE) | 1987-07-14 | — | — | US | disclosed |