Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromobenzene SCHEMBL28791000 | 0.79 | ALDH1A1 (0.55) | ALDH1A1RAB9ANPC1MAPK1SMN1; SMN2 | |
| SCHEMBL30629023 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NOTUMATMRAB9ANPC1 | |
| SCHEMBL29560186 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NOTUMATMRAB9ANPC1 | |
| Biphenyl SCHEMBL28890607 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NOTUMATMRAB9ANPC1 | |
| Biphenyl SCHEMBL2548048 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NOTUMATMRAB9ANPC1 | |
| SCHEMBL30108088 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NOTUMATMRAB9ANPC1 | |
| Biphenyl SCHEMBL29008551 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NOTUMATMRAB9ANPC1 | |
| Biphenyl SCHEMBL1358618 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NOTUMATMRAB9ANPC1 | |
| Biphenyl SCHEMBL4002609 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NOTUMATMRAB9ANPC1 | |
| Biphenyl SCHEMBL164 | 0.71 | ALDH1A1 (1.00) | ALDH1A1NOTUMATMRAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1125069-C | Preparation of alkylthio- and/or arylthio-substd. diketo-diaryl-pyrrolopyrroles | CIBA SPACIALTY CHEMICALS HOLDI (CH) | 2003-10-22 | — | — | CN | disclosed |
| CN-1297450-A | Preparation of alkylthio- and/or arylthio-substd. diketo-diaryl-pyrrolopyrroles | CIBA SC HOLDING AG (CH) | 2001-05-30 | — | — | CN | disclosed |