Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL834744 | 0.87 | CYP2A6 (0.68) | CYP2A6MAPTHPGDALDH1A1RAB9A | |
| SCHEMBL15105728 | 0.82 | CYP2A6 (0.69) | CYP2A6MAPTHPGDALDH1A1RAB9A | |
| SCHEMBL21215857 | 0.82 | CYP2A6 (0.69) | CYP2A6MAPTHPGDALDH1A1RAB9A | |
| SCHEMBL852419 | 0.81 | TPMT (0.60) | MAPTHPGDALDH1A1KMT2AMEN1 | |
| SCHEMBL599006 | 0.80 | CYP2A6 (0.79) | CYP2A6MAPTHPGDALDH1A1RAB9A | |
| SCHEMBL29451111 | 0.80 | CYP2A6 (0.79) | CYP2A6MAPTHPGDALDH1A1RAB9A | |
| SCHEMBL23230300 | 0.79 | NPC1 (0.34) | CYP2A6MAPTHPGDALDH1A1RAB9A | |
| SCHEMBL9390563 | 0.79 | CES2 (0.42) | MAPTHPGDALDH1A1RAB9ANPC1 | |
| SCHEMBL7949112 | 0.79 | LCK (0.62) | ALDH1A1KMT2ACES2CES1TPMT | |
| SCHEMBL20306732 | 0.79 | PLAU (0.62) | HPGDRAB9ANPC1SMN1; SMN2CYP17A1 |
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-2257297-B1 | COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION | MIMETICA PTY LTD (AU) | 2017-10-18 | — | — | EP | disclosed |
| EP-2514592-B1 | MULTI-LAYER STRETCH FILM | TEIJIN LTD (JP) | 2014-08-20 | — | — | EP | disclosed |