Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13369225 | 0.89 | NPC1 (0.49) | SMYD3NPC1GNAI3GNAO1GNAI1 | |
| SCHEMBL2702637 | 0.85 | CPN1 (0.47) | SMYD3NPC1GNAI3GNAO1GNAI1 | |
| SCHEMBL4754581 | 0.83 | NPC1 (0.44) | NPC1GNAI3GNAO1GNAI1POLB | |
| SCHEMBL3831285 | 0.81 | EPHX1 (0.43) | NPC1POLBALDH1A1ATMKDM4E | |
| SCHEMBL7292087 | 0.81 | NPC1 (0.47) | NPC1GNAI3GNAO1GNAI1POLB | |
| SCHEMBL7295819 | 0.79 | GNAI3 (0.55) | NPC1GNAI3GNAO1GNAI1POLB | |
| SCHEMBL4754539 | 0.79 | ALDH1A1 (0.38) | NPC1GNAI3GNAO1GNAI1ALDH1A1 | |
| SCHEMBL7297520 | 0.77 | GNAI3 (0.62) | NPC1GNAI3GNAO1GNAI1POLB | |
| SCHEMBL437880 | 0.77 | — | — | |
| SCHEMBL11032090 | 0.77 | LMNA (0.56) | NPC1GNAI3GNAI1SIGMAR1ALDH1A1 |
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-9771345-B2 | Coferons and methods of making and using them | CORNELL UNIVERSITY (US) | 2017-09-26 | — | — | US | disclosed |
| WO-2011043817-A1 | COFERONS AND METHODS OF MAKING AND USING THEM | CORNELL UNIVERSITY (US) | 2011-04-14 | — | — | WO | disclosed |