Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.41 |
| ▸ | NPC1 | O15118 | 8/20 | 0.41 |
| ▸ | AR | P10275 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL467101 | 0.74 | RAB9A (0.47) | RAB9ANPC1ARCYP3A4CYP1A2 | |
| SCHEMBL1735048 | 0.73 | RAB9A (0.41) | RAB9ANPC1ARCYP3A4CYP1A2 | |
| SCHEMBL15268443 | 0.71 | KDM4E (0.45) | RAB9ANPC1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL170196 | 0.70 | RAB9A (0.64) | RAB9ANPC1ARCYP3A4CYP1A2 | |
| SCHEMBL29374931 | 0.70 | RAB9A (0.64) | RAB9ANPC1ARCYP3A4CYP1A2 | |
| SCHEMBL1327331 | 0.69 | RAB9A (0.50) | RAB9ANPC1ARCYP3A4CYP1A2 | |
| SCHEMBL1464802 | 0.68 | RAB9A (0.46) | RAB9ANPC1ARCYP3A4CYP1A2 | |
| SCHEMBL31365172 | 0.68 | RAB9A (0.61) | RAB9ANPC1ARCYP3A4CYP1A2 | |
| SCHEMBL10866984 | 0.68 | RAB9A (0.61) | RAB9ANPC1ARCYP3A4CYP1A2 | |
| SCHEMBL34463709 | 0.68 | RAB9A (0.61) | RAB9ANPC1ARCYP3A4CYP1A2 |
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-7544680-B2 | Constrained compounds as CGRP-receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-06-09 | — | — | US | claimed |