Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2974936 | 0.79 | TDP1 (0.35) | KMT2ACYP3A4MAPTBLMPMP22 | |
| SCHEMBL8639690 | 0.78 | SMN1; SMN2 (0.43) | CYP3A4MAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL8637449 | 0.76 | ALDH1A1 (0.55) | KMT2ACYP3A4MAPTBLMPMP22 | |
| SCHEMBL8635371 | 0.76 | HCAR3 (0.39) | CTSDMAPTALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL8633720 | 0.74 | PARP1 (0.45) | KMT2ACYP3A4MAPTALDH1A1LMNA | |
| SCHEMBL5576910 | 0.74 | LMNA (0.46) | KMT2ACTSDCYP3A4MAPTBLM | |
| SCHEMBL2364159 | 0.72 | MAPT (0.47) | KMT2ACTSDCYP3A4MAPTBLM | |
| SCHEMBL29411996 | 0.72 | MAPT (0.47) | KMT2ACTSDCYP3A4MAPTBLM | |
| SCHEMBL3421894 | 0.72 | ALDH1A1 (0.50) | KMT2ACYP3A4MAPTBLMPMP22 | |
| SCHEMBL667585 | 0.72 | TSHR (0.54) | KMT2ACYP3A4MAPTBLMPMP22 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0616609-B1 | NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | CANCER RES CAMPAIGN TECH (GB) | 1997-06-18 | — | — | EP | disclosed |
| US-5571845-A | Nitroaniline derivatives and their use as anti-tumour agents | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1996-11-05 | — | — | US | disclosed |
| WO-1993011099-A1 | NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1993-06-10 | — | — | WO | disclosed |