Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9302713 | 0.71 | IKBKB (0.47) | KIF11ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL9538282 | 0.70 | MEN1 (0.33) | ALDH1A1MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL9670082 | 0.68 | FDPS (0.50) | ALDH1A1NPC1RAB9ACYP2C19CYP3A4 | |
| SCHEMBL7877383 | 0.66 | TSHR (0.45) | ALDH1A1HSD17B10KMT2AELANENPC1 | |
| SCHEMBL1423008 | 0.64 | NPC1 (0.73) | KIF11ALDH1A1HSD17B10KMT2ANPC1 | |
| SCHEMBL16997515 | 0.63 | NPC1 (0.59) | KIF11ALDH1A1HSD17B10KMT2ANPC1 | |
| SCHEMBL21237371 | 0.62 | ALDH1A1 (0.55) | KIF11ALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL1803772 | 0.62 | ALDH1A1 (0.55) | ALDH1A1HSD17B10MEN1KMT2AF2 | |
| SCHEMBL5505212 | 0.62 | CYP2A6 (0.68) | KIF11ALDH1A1HSD17B10CYP2C19CYP3A4 | |
| SCHEMBL12933350 | 0.62 | CHRNB2 (0.58) | ALDH1A1HSD17B10NPC1KDM4ERAB9A |
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-5302597-A | Enzyme inhibitors | WARNER-LAMBERT COMPANY (US) | 1994-04-12 | — | — | US | disclosed |