Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | FLT1 | P17948 | 1/20 | 0.50 |
| ▸ | FLT4 | P35916 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Nornitrogen Mustard SCHEMBL8638765 | 0.88 | KDM4E (0.49) | KDM4ECES2MAPTPOLBSMN1; SMN2 | |
| SCHEMBL1403472 | 0.86 | ALDH1A1 (0.56) | KDM4EMAPTPOLBSMN1; SMN2ALDH1A1 | |
| SCHEMBL9502855 | 0.86 | CES2 (0.58) | KDM4ECES2MAPTPOLBSMN1; SMN2 | |
| SCHEMBL11130755 | 0.86 | CES2 (0.58) | KDM4ECES2MAPTPOLBSMN1; SMN2 | |
| SCHEMBL30203403 | 0.86 | ALDH1A1 (0.56) | KDM4EMAPTPOLBSMN1; SMN2ALDH1A1 | |
| Methane SCHEMBL27588822 | 0.85 | ALDH1A1 (0.54) | KDM4EMAPTPOLBSMN1; SMN2ALDH1A1 | |
| SCHEMBL11169142 | 0.85 | CES2 (0.56) | KDM4ECES2MAPTPOLBSMN1; SMN2 | |
| SCHEMBL30179515 | 0.85 | CES2 (0.56) | KDM4ECES2MAPTPOLBSMN1; SMN2 | |
| SCHEMBL23037541 | 0.83 | CES2 (0.55) | KDM4ECES2MAPTPOLBSMN1; SMN2 | |
| SCHEMBL559830 | 0.83 | VCAM1 (0.64) | KDM4EMAPTPOLBSMN1; SMN2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110713454-A | Nitro-substituted indole compound and preparation method thereof | 南京工业大学 | 2020-01-21 | — | — | CN | claimed |
| CN-110713454-A | Nitro-substituted indole compound and preparation method thereof | 南京工业大学 | 2020-01-21 | — | — | CN | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4054556-A | Polyurethanes cured with derivatives of 2,4-diamino-benzoic acid | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-10-18 | — | — | US | disclosed |
| US-4039514-A | SUBSTITUTED 2,4-DIAMINOBENZOIC ACID | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-08-02 | — | — | US | disclosed |