Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 7/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1354897 | 0.81 | OPRD1 (0.41) | PKMTSHRALDH1A1MAOBMEN1 | |
| SCHEMBL6478605 | 0.78 | OPRD1 (0.36) | PKMTSHRKMT2A | |
| SCHEMBL6491384 | 0.77 | OPRD1 (0.51) | TSHR | |
| SCHEMBL6492765 | 0.76 | OPRD1 (0.39) | PKMTSHR | |
| SCHEMBL6480972 | 0.73 | OPRD1 (0.55) | TSHRALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL1666926 | 0.69 | DRD1 (0.60) | ELANEDRD1DRD2DRD4DRD5 | |
| SCHEMBL28643377 | 0.68 | ALDH1A1 (0.47) | ELANEDRD1DRD2DRD4DRD5 | |
| SCHEMBL8657572 | 0.68 | PKM (0.42) | PKMTSHRALDH1A1MAOBKMT2A | |
| SCHEMBL29733609 | 0.67 | DRD1 (0.58) | ELANEDRD1DRD2DRD4DRD5 | |
| SCHEMBL29733602 | 0.67 | DRD1 (0.58) | ELANEDRD1DRD2DRD4DRD5 |
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 2 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 |