Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | LDHB | P07195 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL21227827 | 0.85 | TAAR1 (0.33) | TAAR1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL24365379 | 0.76 | — | — | |
| SCHEMBL25859426 | 0.76 | — | — | |
| SCHEMBL1069010 | 0.74 | TAAR1 (0.41) | TAAR1ALDH1A1POLBMAPTGPR55 | |
| SCHEMBL18597323 | 0.74 | CYP3A4 (0.42) | TAAR1ALDH1A1CYP3A4ADRA2A | |
| SCHEMBL22791511 | 0.73 | CYP3A4 (0.39) | ALDH1A1MAPTTSHRCYP3A4CYP1A2 | |
| SCHEMBL26688291 | 0.73 | TAAR1 (0.43) | TAAR1MAPTMEN1KMT2ANPC1 | |
| SCHEMBL10822849 | 0.73 | TAAR1 (0.43) | TAAR1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2045305 | 0.73 | TAAR1 (0.65) | TAAR1ALDH1A1POLBKMT2ATSHR | |
| SCHEMBL9629541 | 0.71 | TAAR1 (0.42) | TAAR1ALDH1A1MAPTMEN1KMT2A |
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-2906552-B1 | GUANIDINE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-11-22 | — | — | EP | disclosed |
| EP-2297133-B1 | 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS | FORUM PHARMACEUTICALS INC (US) | 2017-09-13 | — | — | EP | disclosed |