Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 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 | |
|---|---|---|---|---|
| SCHEMBL27792940 | 0.84 | S100A4 (0.42) | KMT2AALDH1A1NPC1MEN1MAPT | |
| SCHEMBL27793005 | 0.84 | MAPT (0.46) | TSHRCYP3A4KMT2AALDH1A1NPC1 | |
| SCHEMBL27814220 | 0.83 | ALDH1A1 (0.51) | KMT2AALDH1A1MEN1MAPTFGFR1 | |
| SCHEMBL27792945 | 0.76 | CES2 (0.45) | TSHRCYP3A4KMT2AALDH1A1NPC1 | |
| SCHEMBL2960968 | 0.75 | ALDH1A1 (0.61) | TSHRCYP3A4KMT2AALDH1A1NPC1 | |
| SCHEMBL11189916 | 0.74 | TSHR (0.72) | TSHRCYP3A4KMT2AALDH1A1NPC1 | |
| SCHEMBL27793073 | 0.73 | SCN2A (0.49) | KMT2AALDH1A1NPC1MEN1MAPT | |
| SCHEMBL27793064 | 0.73 | POLB (0.56) | TSHRCYP3A4KMT2AALDH1A1NPC1 | |
| SCHEMBL27793176 | 0.72 | ALDH1A1 (0.42) | TSHRCYP3A4KMT2AALDH1A1MAPT | |
| SCHEMBL27792987 | 0.72 | NPC1 (0.43) | KMT2AALDH1A1NPC1MEN1MAPT |
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-101817774-B | Method for preparing 2-(2-nitrophenyl) pyrrole and 2,5-bis(2-nitrophenyl) pyrrole compounds | YUEFEI HU | 2012-03-21 | — | — | CN | disclosed |
| CN-101817774-A | Method for preparing 2-(2-nitrophenyl) pyrrole and 2,5-bis(2-nitrophenyl) pyrrole compounds | YUEFEI HU | 2010-09-01 | — | — | CN | disclosed |