Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | HNF4A | P41235 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.38 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22262804 | 0.80 | SHMT1 (0.39) | ALDH1A1KDM4CKDM4ESHMT1SHMT2 | |
| SCHEMBL20742140 | 0.78 | TDP1 (0.41) | RAB9AALDH1A1KDM4EHTTLMNA | |
| SCHEMBL465563 | 0.78 | KDM4E (0.55) | RAB9ANPC1ALDH1A1KDM4CKDM4E | |
| SCHEMBL20742130 | 0.78 | SMN1; SMN2 (0.44) | ALDH1A1KDM4EHTTLMNAALOX12 | |
| SCHEMBL20745407 | 0.77 | L3MBTL1 (0.50) | ALDH1A1KDM4EHTTLMNATDP1 | |
| SCHEMBL20742137 | 0.77 | CYP1A2 (0.40) | RAB9AALDH1A1KDM4EHTTLMNA | |
| SCHEMBL20742720 | 0.76 | CYP1A2 (0.34) | ALDH1A1KDM4ETDP1SHMT1SHMT2 | |
| SCHEMBL16815386 | 0.76 | ALDH1A1 (0.37) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7958916 | 0.75 | TRPV3 (0.45) | RAB9ANPC1KDM4ESMN1; SMN2SHMT1 | |
| SCHEMBL3942454 | 0.74 | RAB9A (0.57) | RAB9ANPC1ALDH1A1KDM4ELMNA |
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-3668502-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | AbbVie Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019035927-A1 | MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE | ABBVIE INC. (US) | 2019-02-21 | — | — | WO | disclosed |