Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7927161 | 0.85 | ALOX5 (0.38) | HTTALDH1A1MEN1KMT2AHPGD | |
| Hydrochloric Acid SCHEMBL8120795 | 0.84 | ALOX5 (0.38) | HTTALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL11112282 | 0.72 | CYP19A1 (0.40) | HTTALDH1A1MEN1LMNAKMT2A | |
| SCHEMBL29366932 | 0.72 | KDM4E (0.40) | HTTALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL28806661 | 0.72 | KDM4E (0.40) | HTTALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL9636409 | 0.72 | NISCH (0.36) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL990076 | 0.72 | KDM4E (0.40) | HTTALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL11786875 | 0.71 | CYP2B6 (0.34) | HTTALDH1A1MEN1LMNAKMT2A | |
| SCHEMBL11205813 | 0.70 | GAA (0.40) | ALDH1A1MEN1KMT2ASMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL6994200 | 0.70 | ALDH1A1 (0.39) | HTTALDH1A1MEN1KMT2AHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104416-A2 | QUATERNARY AMMONIUM SALTS AND THEIR USE AS ANTI-HIV AGENTS | Takeda Chemical Industries, Ltd. (JP) | 2001-06-06 | — | — | EP | disclosed |
| EP-1039899-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| EP-1040103-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| WO-2000010965-A2 | QUATERNARY AMMONIUM SALTS AND THEIR USE AS ANTI-HIV AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-03-02 | — | — | WO | disclosed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |
| WO-1999032468-A1 | ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |