Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10689892 | 0.96 | TSHR (0.41) | TSHRGSTO1ALDH1A1CA12CA1 | |
| SCHEMBL10386376 | 0.76 | HPGD (0.33) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL31290248 | 0.74 | ALDH1A1 (0.41) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10386635 | 0.72 | ADRA2A (0.31) | HPGDADRA2AADRA2BADRA2C | |
| SCHEMBL46155 | 0.71 | TSHR (0.72) | TSHRGSTO1PARP1ADRA2A | |
| SCHEMBL10879536 | 0.71 | EPHX2 (0.49) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL18649887 | 0.70 | LTA4H (0.54) | TSHRALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8941787 | 0.69 | TSHR (0.45) | TSHRALDH1A1PARP1HPGDNPC1 | |
| SCHEMBL12971972 | 0.69 | KDM1A (0.46) | ADRA2ACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16430852 | 0.68 | TSHR (0.35) | TSHRGSTO1PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4751222-A | 2,3,4,5-tetrahydro-1H-3-benzazepines and CNS affecting use thereof | NOVO INDUSTRI A/S (DK) | 1988-06-14 | — | — | US | disclosed |
| EP-0200455-A2 | 2,3,4,5-tetrahydro-1H-3-benzazepines substituted in position 5 | NOVO NORDISK A/S (DK) | 1986-11-05 | — | — | EP | disclosed |