Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7729637 | 0.77 | METAP2 (0.41) | KDM4ENPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL7722996 | 0.76 | AAK1 (0.47) | AAK1TP53MAPTCHRNB2CHRNA4 | |
| SCHEMBL7733987 | 0.76 | AAK1 (0.38) | AAK1TP53 | |
| SCHEMBL7732441 | 0.75 | AAK1 (0.32) | AAK1KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL7733548 | 0.74 | AAK1 (0.46) | AAK1NPC1RAB9AHSD17B10 | |
| SCHEMBL7730501 | 0.69 | ALDH1A1 (0.46) | AAK1KDM4EALDH1A1HSD17B10KMT2A | |
| SCHEMBL8362696 | 0.69 | ALDH1A1 (0.46) | AAK1KDM4EALDH1A1HSD17B10KMT2A | |
| SCHEMBL7733926 | 0.68 | AAK1 (0.41) | AAK1NPC1RAB9AKMT2AMAPT | |
| SCHEMBL9305783 | 0.65 | RAB9A (0.34) | AAK1KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL9305778 | 0.64 | RAB9A (0.38) | KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2 |
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-6436980-B1 | TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES | ESSENTIAL THERAPEUTICS, INC. | 2002-08-20 | — | — | US | disclosed |
| US-6204279-B1 | SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES | MICROCIDE PHARMACEUTICALS, INC. | 2001-03-20 | — | — | US | disclosed |