Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5838905 | 0.84 | ALDH1A1 (0.56) | ALDH1A1LMNAKMT2AMEN1RAB9A | |
| SCHEMBL5839687 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNAKMT2AMEN1RAB9A | |
| SCHEMBL5839828 | 0.81 | MRGPRX4 (0.55) | ALDH1A1LMNAKMT2AMEN1RAB9A | |
| SCHEMBL10881008 | 0.80 | ALDH1A1 (0.49) | ALDH1A1LMNAKMT2AMEN1RAB9A | |
| SCHEMBL5838506 | 0.79 | TSHR (0.59) | ALDH1A1LMNAKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL159283 | 0.79 | CTSV (0.60) | ALDH1A1LMNAKMT2AMEN1KDM4E | |
| SCHEMBL873861 | 0.79 | CTSV (0.60) | ALDH1A1LMNAKMT2AMEN1KDM4E | |
| SCHEMBL10883924 | 0.79 | NPC1 (0.53) | ALDH1A1LMNAKMT2AMEN1RAB9A | |
| SCHEMBL1388012 | 0.79 | ALDH1A1 (0.68) | ALDH1A1KMT2ARAB9AHPGDNPC1 | |
| SCHEMBL26963414 | 0.78 | ALDH1A1 (0.54) | ALDH1A1LMNAKMT2AMEN1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6984645-B2 | Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-01-10 | — | — | US | disclosed |