Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT2B17 | O75795 | 2/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13303500 | 0.95 | UGT2B17 (0.35) | UGT2B17PNMTALDH1A1HPGDTSHR | |
| SCHEMBL13303507 | 0.77 | UGT2B17 (0.33) | UGT2B17 | |
| SCHEMBL11987736 | 0.77 | UGT2B17 (0.33) | UGT2B17ALDH1A1SMN1; SMN2 | |
| SCHEMBL11987801 | 0.77 | HPGD (0.35) | UGT2B17ALDH1A1HPGDTSHRSMN1; SMN2 | |
| SCHEMBL19981500 | 0.73 | ADRA2A (0.31) | — | |
| SCHEMBL19981792 | 0.73 | ALDH1A1 (0.33) | PNMTALDH1A1HPGDTSHRSMN1; SMN2 | |
| SCHEMBL12894433 | 0.73 | CNR2 (0.31) | UGT2B17 | |
| SCHEMBL11987727 | 0.73 | ALDH1A1 (0.32) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL11987814 | 0.73 | NPC1 (0.38) | ALDH1A1HPGDTSHRSMN1; SMN2NPC1 | |
| SCHEMBL2837067 | 0.73 | QDPR (0.35) | — |
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-2365970-B1 | PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS | GILEAD CONNECTICUT INC (US) | 2018-03-21 | — | — | EP | disclosed |
| EP-2188267-B1 | SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER | GILEAD CONNECTICUT INC (US) | 2016-08-03 | — | — | EP | disclosed |