Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | MITF | O75030 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CCR6 | P51684 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL31514652 | 0.86 | GPR35 (0.62) | ALDH1A1LMNAKMT2AGPR35SMN1; SMN2 | |
| SCHEMBL29544409 | 0.85 | KMT2A (0.67) | ALDH1A1LMNAKMT2AGPR35SMN1; SMN2 | |
| SCHEMBL3803922 | 0.85 | KMT2A (0.67) | ALDH1A1LMNAKMT2AGPR35SMN1; SMN2 | |
| SCHEMBL6398309 | 0.85 | KMT2A (0.71) | ALDH1A1LMNAKMT2ASMN1; SMN2TSHR | |
| SCHEMBL346217 | 0.83 | KMT2A (0.64) | ALDH1A1LMNAKMT2ASMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL29079546 | 0.83 | KMT2A (0.69) | ALDH1A1LMNAKMT2ASMN1; SMN2TSHR | |
| Methane SCHEMBL28308571 | 0.83 | KMT2A (0.69) | ALDH1A1LMNAKMT2ASMN1; SMN2TSHR | |
| SCHEMBL130412 | 0.83 | DTYMK (0.64) | ALDH1A1KMT2AGPR35SMN1; SMN2TSHR | |
| SCHEMBL22890327 | 0.83 | KMT2A (0.64) | ALDH1A1LMNAKMT2ASMN1; SMN2TSHR | |
| SCHEMBL7613754 | 0.82 | GPR35 (0.53) | ALDH1A1LMNAKMT2AGPR35SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012003563-A1 | ANTINEOPLASTIC PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED NITROAROMATIC COMPOUNDS | UNIVERSIDADE FEDERAL DE MINAS GERAIS - UFMG (BR) | 2012-01-12 | — | — | WO | disclosed |
| WO-2012003562-A1 | ANTINEOPLASTIC PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED NITROIMIDAZOLES | UNIVERSIDADE FEDERAL DE MINAS GERAIS - UFMG (BR) | 2012-01-12 | — | — | WO | disclosed |