Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29249332 | 0.85 | TSHR (0.49) | MEN1KMT2ATP53TSHREPHX1 | |
| SCHEMBL286217 | 0.84 | TP53 (0.60) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL97559 | 0.84 | TP53 (0.60) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL3484487 | 0.84 | TP53 (0.60) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL7599594 | 0.81 | TAAR1 (0.47) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL13490179 | 0.81 | EPHX1 (0.55) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL15866011 | 0.81 | TSHR (0.46) | TAAR1MEN1KMT2ASLC6A2SLC6A3 | |
| SCHEMBL8072287 | 0.81 | SIGMAR1 (0.58) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL7394097 | 0.77 | TAAR1 (0.54) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL11461422 | 0.77 | TP53 (0.58) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6310033-B1 | 2,4-DIMETHYL-5-PHENYLPENTANAL; PERFUMES | BUSH BOAKE ALLEN INC. | 2001-10-30 | — | — | US | claimed |
| US-6310033-B1 | 2,4-DIMETHYL-5-PHENYLPENTANAL; PERFUMES | BUSH BOAKE ALLEN INC. | 2001-10-30 | — | — | US | disclosed |