Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GALR2 | O43603 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL397996 | 0.80 | ALDH1A1 (0.44) | ALDH1A1MAPTRAB9ANPC1PKM | |
| SCHEMBL397995 | 0.80 | ALDH1A1 (0.44) | ALDH1A1MAPTRAB9ANPC1PKM | |
| SCHEMBL396045 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9ANPC1PKM | |
| SCHEMBL396046 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9ANPC1PKM | |
| SCHEMBL30083324 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTRAB9ANPC1PKM | |
| SCHEMBL11833572 | 0.76 | ALDH1A1 (0.54) | ALDH1A1MAPTRAB9ANPC1PKM | |
| SCHEMBL11833581 | 0.76 | ALDH1A1 (0.54) | ALDH1A1MAPTRAB9ANPC1PKM | |
| SCHEMBL396236 | 0.75 | MAPT (0.42) | ALDH1A1MAPTRAB9ANPC1PKM | |
| SCHEMBL396237 | 0.75 | MAPT (0.42) | ALDH1A1MAPTRAB9ANPC1PKM | |
| SCHEMBL30083330 | 0.75 | MAPT (0.42) | ALDH1A1MAPTRAB9ANPC1PKM |
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-2674428-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-04-06 | — | — | EP | disclosed |