Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30191663 | 0.79 | HSD17B10 (0.51) | HSD17B10GABRA5GABRB2KDM4ENPC1 | |
| SCHEMBL1970795 | 0.75 | NOS1 (0.44) | TSHRHSD17B10GABRA5GABRB2KDM4E | |
| SCHEMBL17273791 | 0.74 | ALDH1A1 (0.67) | TSHRHSD17B10KDM4ENPC1RAB9A | |
| SCHEMBL17261554 | 0.73 | ALDH1A1 (0.65) | TSHRHSD17B10KDM4ENPC1RAB9A | |
| SCHEMBL308007 | 0.72 | GABRA5 (0.44) | HSD17B10GABRA5GABRB2NPC1RAB9A | |
| SCHEMBL17273966 | 0.72 | KDM4E (0.79) | TSHRHSD17B10KDM4ENPC1RAB9A | |
| SCHEMBL4871513 | 0.70 | NOS1 (0.61) | HSD17B10GABRA5GABRB2NPC1RAB9A | |
| SCHEMBL21340616 | 0.70 | TSHR (0.42) | TSHRHSD17B10KDM4ENPC1RAB9A | |
| SCHEMBL20047367 | 0.70 | NOS1 (0.51) | HSD17B10GABRA5GABRB2NPC1RAB9A | |
| SCHEMBL21340930 | 0.69 | TSHR (0.48) | TSHRHSD17B10KDM4ENPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | claimed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | disclosed |