Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.48 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KAT6A | Q92794 | 3/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL28666678 | 0.86 | TDP1 (0.59) | MCL1BCL2L1KMT2AMEN1TDP1 | |
| SCHEMBL8974476 | 0.82 | ALDH1A1 (0.46) | KMT2AALDH1A1TDP1 | |
| SCHEMBL8974969 | 0.74 | AKR1C3 (0.53) | MCL1BCL2L1KMT2AMEN1ALDH1A1 | |
| SCHEMBL7774832 | 0.72 | NPC1 (0.57) | MCL1BCL2L1KMT2AMEN1ALDH1A1 | |
| Salicylic Acid SCHEMBL15758200 | 0.72 | ALDH1A1 (0.59) | MCL1BCL2L1ACMSDKMT2AMEN1 | |
| SCHEMBL2556706 | 0.71 | ALDH1A1 (0.48) | KMT2AALDH1A1 | |
| Naphthoic Acid SCHEMBL28273158 | 0.71 | NR4A1 (0.62) | MCL1BCL2L1KMT2AMEN1ALDH1A1 | |
| SCHEMBL28482368 | 0.71 | MAPT (0.54) | KMT2AMEN1ALDH1A1TDP1CTDSP1 | |
| SCHEMBL7348029 | 0.71 | MEN1 (0.70) | MCL1BCL2L1KMT2AMEN1ALDH1A1 | |
| SCHEMBL14844698 | 0.69 | LMNA (0.57) | KMT2AMEN1ALDH1A1L3MBTL1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996039132-A1 | N,N-DISULFONYLATED AMINOBENZENE CARBOXYLIC ACIDS AND THE USE THEREOF AS THROMBIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1996-12-12 | — | — | WO | claimed |
| US-5559150-A | ANTICOAGULANT, ANTITUMOR, ANTIINFLAMMATORY | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1996-09-24 | — | — | US | claimed |
| WO-1996039132-A1 | N,N-DISULFONYLATED AMINOBENZENE CARBOXYLIC ACIDS AND THE USE THEREOF AS THROMBIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1996-12-12 | — | — | WO | disclosed |
| US-5559150-A | ANTICOAGULANT, ANTITUMOR, ANTIINFLAMMATORY | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1996-09-24 | — | — | US | disclosed |