Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | NCF1 | P14598 | 4/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | UBE2N | P61088 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29935705 | 0.79 | CYP1A2 (0.63) | CYP1A2NCF1KDM4EALDH1A1USP2 | |
| SCHEMBL11810842 | 0.79 | CYP1A2 (0.58) | CYP1A2NCF1KDM4EALDH1A1USP2 | |
| SCHEMBL1914529 | 0.79 | CYP1A2 (0.63) | CYP1A2NCF1KDM4EALDH1A1USP2 | |
| SCHEMBL6789068 | 0.79 | NCF1 (0.59) | CYP1A2NCF1NPSR1KDM4EALDH1A1 | |
| SCHEMBL18391405 | 0.76 | CYP1A2 (0.55) | CYP1A2NCF1KDM4EALDH1A1USP2 | |
| SCHEMBL6789373 | 0.76 | CYP1A2 (0.55) | CYP1A2NCF1KDM4EALDH1A1USP2 | |
| SCHEMBL6788445 | 0.73 | CYP1A2 (0.51) | CYP1A2NCF1GFERUBE2NNPSR1 | |
| SCHEMBL6790532 | 0.73 | CYP1A2 (0.60) | CYP1A2NCF1KDM4EALDH1A1USP2 | |
| SCHEMBL17053185 | 0.72 | CYP1A2 (0.50) | CYP1A2NCF1KDM4EALDH1A1USP2 | |
| SCHEMBL29502790 | 0.71 | CYP1A2 (1.00) | CYP1A2NCF1KDM4EALDH1A1MAPT |
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-6825215-B2 | N-HYDROXY-2-(2-(((4-((2-METHYL-4-QUINOLINYL)METHOXY)PHENYL) -SULFONYL)METHYL)-2-PYRROLIDINYL)ACETAMIDE, FOR EXAMPLE AND OTHER QUINOLINE CONTAINING N-HYDROXYACETAMIDE DERIVATIVES | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-11-30 | — | — | US | disclosed |