Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28251151 | 0.86 | CHRM2 (0.35) | CHRM2 | |
| SCHEMBL27685463 | 0.85 | ALDH1A1 (0.42) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL12928355 | 0.82 | ALDH1A1 (0.47) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Succinic Acid SCHEMBL28312238 | 0.81 | ALDH1A1 (0.39) | ALDH1A1ATMTSHRHCAR2CYP1A2 | |
| SCHEMBL394865 | 0.78 | ALDH1A1 (0.42) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL28825420 | 0.77 | ALDH1A1 (0.45) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL27685465 | 0.77 | ATM (0.43) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL27896304 | 0.76 | CHRM2 (0.33) | CHRM2 | |
| SCHEMBL27630408 | 0.76 | NAAA (0.48) | ALDH1A1TSHRHCAR2LMNANAAA | |
| SCHEMBL12083937 | 0.74 | ALDH1A1 (0.50) | ALDH1A1ATMTSHRHPGDHCAR2 |
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-7125895-B1 | Cyclic amine derivatives and their uses | BRISTOL-MYERS SQUIBB PHARMA RESEARCH LABS, INC. (US) | 2006-10-24 | — | — | US | disclosed |
| EP-1181278-B1 | CYCLIC AMINE DERIVATIVES AND THEIR USES | BRISTOL MYERS SQUIBB PHARMA RE (US) | 2004-09-29 | — | — | EP | disclosed |
| EP-1181278-A1 | CYCLIC AMINE DERIVATIVES AND THEIR USES | Combichem, Inc. (US) | 2002-02-27 | — | — | EP | disclosed |
| WO-2000069820-A1 | CYCLIC AMINE DERIVATIVES AND THEIR USES | COMBICHEM, INC. (US) | 2000-11-23 | — | — | WO | disclosed |