Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738442 | 1.00 | TACR1 (0.46) | TACR1MEN1KMT2ATACR3HCRTR1 | |
| SCHEMBL7738402 | 0.77 | NOS2 (0.43) | TACR1KMT2AALDH1A1POLBCYP2C9 | |
| SCHEMBL7738409 | 0.77 | NOS2 (0.43) | TACR1KMT2AALDH1A1POLBCYP2C9 | |
| SCHEMBL11027965 | 0.75 | TACR1 (0.69) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL11027962 | 0.75 | TACR1 (0.69) | TACR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL7738441 | 0.75 | AKR1B1 (0.32) | TACR1KDM4EALDH1A1 | |
| SCHEMBL7738435 | 0.73 | TAS1R3 (0.33) | TACR1ALDH1A1POLBCYP2C9CYP2C19 | |
| SCHEMBL7738429 | 0.73 | TAS1R3 (0.33) | TACR1ALDH1A1POLBCYP2C9CYP2C19 | |
| SCHEMBL7736594 | 0.71 | KDM4E (0.36) | MEN1KMT2AKDM4EALDH1A1LMNA | |
| SCHEMBL7736591 | 0.71 | KDM4E (0.36) | MEN1KMT2AKDM4EALDH1A1LMNA |
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-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |