Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGFBP3 | P17936 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.40 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.40 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8568052 | 1.00 | IGFBP3 (0.44) | IGFBP3ALDH1A1CA12CA9S100A4 | |
| SCHEMBL8568047 | 1.00 | IGFBP3 (0.44) | IGFBP3ALDH1A1CA12CA9S100A4 | |
| SCHEMBL8574119 | 0.80 | ELANE (0.45) | ALDH1A1CA12CA9POLBMEN1 | |
| SCHEMBL8571648 | 0.78 | DYRK1A (0.40) | ALDH1A1TDP1POLBMEN1KMT2A | |
| SCHEMBL5754705 | 0.78 | KMO (0.51) | TDP1POLBKMT2A | |
| SCHEMBL8574369 | 0.78 | DHODH (0.48) | ALDH1A1MAPT | |
| SCHEMBL8567912 | 0.78 | DHODH (0.54) | ALDH1A1TDP1POLBMEN1KMT2A | |
| SCHEMBL6783762 | 0.75 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL29402079 | 0.75 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL13405556 | 0.75 | POLB (0.54) | IGFBP3ALDH1A1TDP1CYP3A4ALOX15 |
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-5739133-A | N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS | ZENECA LIMITED (GB) | 1998-04-14 | — | — | US | disclosed |
| US-5733910-A | Pyridazinedione compounds useful in the treating neurological disorders | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1998-03-31 | — | — | US | disclosed |
| US-5604227-A | EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1997-02-18 | — | — | US | disclosed |
| US-5599814-A | SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1997-02-04 | — | — | US | disclosed |