Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 6/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.56 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29540420 | 1.00 | TMEM97 (0.56) | TMEM97SIGMAR1RIPK1EPHX2HSD11B1 | |
| SCHEMBL8303313 | 0.88 | TMEM97 (0.58) | TMEM97SIGMAR1RIPK1HSD11B1 | |
| SCHEMBL26984487 | 0.88 | TMEM97 (0.58) | TMEM97SIGMAR1RIPK1HSD11B1 | |
| SCHEMBL12478146 | 0.88 | TMEM97 (0.49) | TMEM97SIGMAR1RIPK1PARP14PARP10 | |
| SCHEMBL3378097 | 0.87 | TMEM97 (0.51) | TMEM97SIGMAR1NPC1RAB9AFKBP1A | |
| SCHEMBL30611182 | 0.86 | LMNA (0.57) | NPC1HPGDRAB9AL3MBTL1 | |
| SCHEMBL31421713 | 0.84 | LMNA (0.47) | TMEM97SIGMAR1RIPK1EPHX2CHRM2 | |
| SCHEMBL16401372 | 0.83 | TMEM97 (0.48) | TMEM97SIGMAR1PARP14PARP10 | |
| SCHEMBL4033512 | 0.81 | TMEM97 (0.68) | TMEM97SIGMAR1EPHX2NPC1RAB9A | |
| SCHEMBL9274408 | 0.81 | CHRM2 (0.46) | RIPK1CHRM2CHRM4CHRM5CHRM1 |
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-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |