Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 6/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL670917 | 0.85 | TSHR (0.58) | ALDH1A1TDP1TSHRLMNAHSD17B10 | |
| Toluene SCHEMBL28103286 | 0.82 | VCAM1 (0.46) | TSHRLMNANPC1RAB9ASMN1; SMN2 | |
| Phenol SCHEMBL28068525 | 0.81 | GRIN2D (0.46) | ALDH1A1TDP1TSHRLMNAMAPT | |
| Toluene SCHEMBL27576042 | 0.81 | HSD17B10 (0.53) | ALDH1A1TDP1TSHRLMNAHSD17B10 | |
| SCHEMBL541489 | 0.80 | TDP1 (0.72) | ALDH1A1TDP1TSHRHSD17B10SMN1; SMN2 | |
| Toluene SCHEMBL28299175 | 0.78 | TSHR (0.66) | ALDH1A1TDP1HPRT1TSHRACHE | |
| SCHEMBL28285744 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRLMNAHSD17B10 | |
| Formic Acid SCHEMBL28829433 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TDP1TSHRHPGDGRIN2D | |
| SCHEMBL4583260 | 0.76 | ALDH1A1 (0.53) | ALDH1A1TDP1HPRT1TSHRLMNA | |
| SCHEMBL16174808 | 0.75 | MAPT (0.51) | ALDH1A1TDP1LMNAMAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105189447-B | The method for manufacturing nitrobenzene compound | 组合化学工业株式会社 | 2017-12-05 | — | — | CN | disclosed |