Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | JAK2 | O60674 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | F2R | P25116 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | JAK1 | P23458 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.54 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.54 |
| ▸ | SMO | Q99835 | 2/20 | 0.52 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.51 |
| ▸ | OXTR | P30559 | 1/20 | 0.51 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | LCLAT1 | Q6UWP7 | 1/20 | 0.49 |
| ▸ | ACLY | P53396 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12700230 | 0.86 | ALDH1A1 (0.64) | NPC1RAB9AMEN1KMT2AKCNK3 | |
| SCHEMBL27316696 | 0.82 | AVPR2 (0.54) | NPC1RAB9AMEN1KMT2AKCNK3 | |
| SCHEMBL8314314 | 0.82 | AVPR2 (0.57) | NPC1RAB9AMEN1KMT2AKCNK3 | |
| SCHEMBL7331517 | 0.81 | DHODH (0.68) | NPC1RAB9AMEN1KMT2AKCNK3 | |
| SCHEMBL4155586 | 0.81 | JAK2 (0.73) | NPC1RAB9AJAK2TSHRF2R | |
| SCHEMBL7341264 | 0.80 | TSHR (0.68) | NPC1RAB9AJAK2TSHRJAK1 | |
| SCHEMBL15778670 | 0.80 | FADS1 (0.68) | NPC1RAB9AJAK2F2RMAOB | |
| SCHEMBL1458777 | 0.80 | CHRNB2 (0.63) | TSHRMEN1KMT2ASMOAVPR2 | |
| SCHEMBL7334964 | 0.80 | AVPR2 (0.57) | NPC1RAB9AMEN1KMT2AAVPR2 | |
| SCHEMBL15779480 | 0.79 | RAB9A (0.61) | NPC1RAB9AJAK2F2RMAOB |
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-0636625-B1 | Tricyclic diazepines vasopressin and oxytocin antagonists | AMERICAN CYANAMID CO (US) | 1999-01-27 | — | — | EP | disclosed |