Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6489480 | 0.79 | CYP1A2 (0.60) | S1PR1OPRD1NCF1KDM4ETSHR | |
| SCHEMBL6213496 | 0.78 | S1PR1 (0.49) | S1PR1OPRD1NCF1KDM4ETSHR | |
| SCHEMBL6586126 | 0.78 | TSHR (0.61) | S1PR1OPRD1NCF1KDM4ETSHR | |
| SCHEMBL6457843 | 0.78 | S1PR1 (0.52) | S1PR1OPRD1NCF1KDM4ETSHR | |
| SCHEMBL8366862 | 0.76 | KDM4E (0.53) | S1PR1OPRD1NCF1KDM4ETSHR | |
| SCHEMBL7760642 | 0.75 | S1PR1 (0.47) | S1PR1OPRD1NCF1KDM4ETSHR | |
| SCHEMBL2641557 | 0.75 | CYP1A2 (0.64) | NCF1KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL16832665 | 0.74 | KDM4E (0.57) | S1PR1OPRD1KDM4ETSHRALDH1A1 | |
| SCHEMBL3968023 | 0.71 | MAOA (0.50) | KDM4EALDH1A1GAAHSD17B10HPGD | |
| SCHEMBL3152061 | 0.71 | KDM4E (0.40) | NCF1KDM4ETSHRALDH1A1GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6962938-B2 | Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2005-11-08 | — | — | US | disclosed |
| US-6720329-B2 | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA | 2004-04-13 | — | — | US | disclosed |
| EP-1373199-A4 | SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-04-07 | — | — | EP | disclosed |
| EP-1373199-A2 | SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) | Bristol-Myers Squibb Pharma Company (US) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002074738-A2 | SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-09-26 | — | — | WO | disclosed |