Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27511511 | 0.84 | VCAM1 (0.60) | ALDH1A1TSHRVCAM1MAPTMAPK1 | |
| SCHEMBL8622869 | 0.82 | VCAM1 (0.77) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL10903202 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL4254988 | 0.81 | NPC1 (0.63) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL30192262 | 0.81 | NPC1 (0.63) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL181572 | 0.81 | CES2 (0.78) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL8962468 | 0.79 | CES2 (0.75) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL10341585 | 0.79 | CES2 (0.60) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL14984180 | 0.78 | ALDH1A1 (0.68) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL10902888 | 0.78 | TSHR (0.59) | ALDH1A1TSHRCES2CES1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0973777-A1 | FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-01-26 | — | — | EP | disclosed |
| US-6001849-A | Furopyridine, thienopyridine pyrrolopyridine useful in controlling chemical synaptic transmission | ABBOTT LABORATORIES (US) | 1999-12-14 | — | — | US | disclosed |
| EP-0934308-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998046609-A1 | FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1997046554-A1 | 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1997-12-11 | — | — | WO | disclosed |