Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11879712 | 0.83 | ALDH1A1 (0.35) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| SCHEMBL11876701 | 0.80 | ALDH1A1 (0.33) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| SCHEMBL11877000 | 0.79 | VCAM1 (0.33) | ALDH1A1TSHRVCAM1MEN1KMT2A | |
| SCHEMBL11881928 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| SCHEMBL11884285 | 0.73 | VCAM1 (0.39) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| SCHEMBL2848439 | 0.72 | TDP1 (0.51) | ALDH1A1TSHRTDP1LMNAMAPT | |
| SCHEMBL23178591 | 0.72 | ALDH1A1 (0.45) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| SCHEMBL11884412 | 0.71 | ALDH1A1 (0.39) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| SCHEMBL30142204 | 0.69 | HSD17B10 (0.58) | ALDH1A1TSHRTDP1HSD17B10LMNA | |
| SCHEMBL27985199 | 0.69 | ALDH1A1 (0.49) | ALDH1A1TSHRTDP1LMNAMAPT |
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-3966817-A | Herbicidal ortho-nitroanilines | SHELL OIL COMPANY (US) | 1976-06-29 | — | — | US | disclosed |