Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.84 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.68 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.47 |
| ▸ | TUBB | P07437 | 2/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.47 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.47 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.47 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.47 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29495045 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TDP1ACHETHRB | |
| SCHEMBL55544 | 0.92 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TDP1ACHETHRB | |
| Hydrochloric Acid SCHEMBL10706930 | 0.90 | ALDH1A1 (0.95) | ALDH1A1CYP3A4TDP1ACHETHRB | |
| 2,5-Xylidine SCHEMBL70824 | 0.82 | — | — | |
| Sulfuric Acid SCHEMBL10957580 | 0.81 | ALDH1A1 (0.78) | ALDH1A1CYP3A4TDP1ACHETHRB | |
| 2,5-Xylidine SCHEMBL28157262 | 0.80 | ALDH1A1 (0.94) | ALDH1A1CYP3A4TDP1ACHETHRB | |
| 2,5-Xylidine SCHEMBL27942436 | 0.80 | ALDH1A1 (0.94) | ALDH1A1CYP3A4TDP1ACHETHRB | |
| 2,5-Xylidine SCHEMBL2869916 | 0.80 | ALDH1A1 (0.94) | ALDH1A1CYP3A4TDP1ACHETHRB | |
| SCHEMBL11354738 | 0.79 | ALDH1A1 (0.75) | ALDH1A1CYP3A4TDP1ACHETHRB | |
| Orthocresol SCHEMBL11881671 | 0.79 | ALDH1A1 (0.68) | ALDH1A1CYP3A4TDP1ACHETHRB |
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-5298607-A | Reactive dyes for cotton | CIBA-GEIGY CORPORATION (US) | 1994-03-29 | — | — | US | disclosed |
| US-4996304-A | For low temperature dyeing and printing of cellulose fibers; colorfastness | CIBA-GEIGY CORPORATION (US) | 1991-02-26 | — | — | US | disclosed |