Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7305679 | 0.82 | MAPT (0.45) | AKR1C3AKR1C2MAPTRAB9ANPC1 | |
| SCHEMBL29361599 | 0.81 | AKR1C3 (0.49) | AKR1C3AKR1C2MAPTRAB9ANPC1 | |
| SCHEMBL50489 | 0.81 | AKR1C3 (0.49) | AKR1C3AKR1C2MAPTRAB9ANPC1 | |
| SCHEMBL8538660 | 0.77 | CYP2A6 (0.53) | MAPTRAB9ANPC1CYP2A6PKM | |
| SCHEMBL7295677 | 0.77 | PKM (0.57) | AKR1C3AKR1C2MAPTRAB9ANPC1 | |
| SCHEMBL1669169 | 0.77 | CYP2A6 (0.48) | AKR1C3AKR1C2MAPTRAB9ANPC1 | |
| SCHEMBL10943538 | 0.76 | AKR1C3 (0.46) | AKR1C3AKR1C2MAPTRAB9ANPC1 | |
| SCHEMBL20110922 | 0.76 | PRKCI (0.53) | AKR1C3AKR1C2MAPTRAB9ANPC1 | |
| SCHEMBL11149808 | 0.76 | MAPT (0.44) | MAPTRAB9ANPC1CYP2A6PKM | |
| SCHEMBL16261358 | 0.76 | AKR1C3 (0.57) | AKR1C3AKR1C2L3MBTL1 |
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-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |