Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL826948 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27597682 | 0.78 | PTPN1 (0.50) | PTPN1PTPN6PTPN11TSHRTDP1 | |
| Acetic Acid Methyl Ester SCHEMBL28147105 | 0.75 | PTPN1 (0.47) | PTPN1PTPN6PTPN11TSHRTDP1 | |
| Propionic Acid SCHEMBL28147107 | 0.71 | TSHR (0.46) | PTPN1PTPN6PTPN11TSHRTDP1 | |
| SCHEMBL908521 | 0.71 | — | — | |
| SCHEMBL8166741 | 0.67 | MAPT (0.44) | PTPN1PTPN6PTPN11TSHRTDP1 | |
| Benzene SCHEMBL4222994 | 0.66 | CA12 (0.50) | PTPN1PTPN6PTPN11TSHRPTK2 | |
| SCHEMBL12365087 | 0.66 | RAB9A (0.44) | TSHRTDP1RAB9AMAPTKMT2A | |
| SCHEMBL8778642 | 0.66 | PTPN1 (0.55) | PTPN1PTPN6PTPN11PTK2RAB9A | |
| SCHEMBL624090 | 0.65 | CA12 (0.53) | PTPN1PTPN6PTPN11TSHRTDP1 |
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-3624596-A1 | METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD | International Flavors & Fragrances Inc. (US) | 2020-03-25 | — | — | EP | disclosed |
| WO-2018213154-A1 | METHOD FOR MODULATING THE FLAVOR PROFILE OF A FOOD | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2018-11-22 | — | — | WO | disclosed |