Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.36 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3680990 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL5033579 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL12667950 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL4485950 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL2993771 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL4460390 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL4485945 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL3745167 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E | |
| Bromide SCHEMBL1770934 | 0.99 | ALDH1A1 (0.40) | ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E | |
| SCHEMBL4472116 | 0.92 | ALDH1A1 (0.41) | ALDH1A1TSHRL3MBTL1SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2173714-A1 | PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009015166-A1 | PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-29 | — | — | WO | disclosed |