Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.47 |
| ▸ | RELA | Q04206 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.46 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30509827 | 0.80 | PTPRC (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL29350007 | 0.78 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TP53NFKB1NFKB2 | |
| SCHEMBL25302086 | 0.78 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TP53NFKB1NFKB2 | |
| SCHEMBL27953 | 0.78 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2TP53NFKB1NFKB2 | |
| SCHEMBL23566250 | 0.77 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL22115937 | 0.76 | MAOA (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL31380184 | 0.76 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL6077039 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2TP53NFKB1NFKB2 | |
| Bromide SCHEMBL8588309 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2TP53NFKB1NFKB2 | |
| SCHEMBL17836548 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2TP53NFKB1NFKB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569919-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-04-18 | — | — | EP | disclosed |
| US-7642277-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-05 | — | — | US | disclosed |