Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL14438153 | 0.89 | TSHR (0.35) | TSHRLMNAALDH1A1HDAC1MEN1 | |
| SCHEMBL11959883 | 0.82 | TSHR (0.48) | TSHRNPC1RAB9AMAPTCA1 | |
| SCHEMBL10888830 | 0.79 | TSHR (0.57) | TSHRACHETDP1NPC1RAB9A | |
| SCHEMBL17875011 | 0.78 | CYP2A6 (0.38) | TSHRNPC1RAB9ACA1CA2 | |
| SCHEMBL24564597 | 0.78 | ESR1 (0.54) | TSHRNPC1RAB9AMAPTCA1 | |
| SCHEMBL246162 | 0.77 | ALDH1A1 (0.46) | TSHRMAPTALDH1A1HDAC1HDAC6 | |
| SCHEMBL16510924 | 0.76 | PDE2A (0.37) | TSHRTDP1NPC1LMNAALDH1A1 | |
| SCHEMBL25710938 | 0.75 | TSHR (0.52) | TSHRACHETDP1NPC1RAB9A | |
| SCHEMBL15942798 | 0.75 | TSHR (0.46) | TSHRACHETDP1NPC1RAB9A | |
| SCHEMBL14518101 | 0.73 | TSHR (0.50) | TSHRACHETDP1NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3218374-B1 | SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN | GENENTECH INC (US) | 2021-12-29 | — | — | EP | disclosed |